4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C35H45N7O4 — CID 24863334

IUPAC4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESO=C1Cc2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)ccc2N1
InChIInChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1
InChIKeyJWHJIIANXOMUPH-WJOKGBTCSA-N
MW627.79 g/mol
LogP3.79
Rot. Bonds6

About 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 24863334) has the molecular formula C35H45N7O4 and a molecular weight of 627.79 g/mol. Its IUPAC name is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID24863334
Molecular FormulaC35H45N7O4
Molecular Weight627.79 g/mol
Exact Mass627.35
IUPAC Name4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESO=C1Cc2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)ccc2N1
InChIInChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1
InChIKeyJWHJIIANXOMUPH-WJOKGBTCSA-N
XLogP3.79
TPSA117.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.79
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3,4-difluorobenzamide
CID 58864477
1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(2-fluorophenyl)urea
CID 58864506
5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 907670
5-butyl-1',5',7-trimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 2215331
1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 62707610
N-[(2R)-3-naphthalen-1-yl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 70682193
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-(4-phenylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 70682194
N-[(2R)-3-(4-aminophenyl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 70684297
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 70690613
N-[(2R)-3-naphthalen-2-yl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 70692759
5,7-diethyl-1',5'-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 665872
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(1R)-2-oxo-1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 70686450

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 24863334) is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is O=C1Cc2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)ccc2N1.
What is the InChIKey of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is JWHJIIANXOMUPH-WJOKGBTCSA-N. The full InChI is InChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1.
What are the key properties of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 627.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24863334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).