4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide

C34H43N7O5 — CID 24863332

IUPAC4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C34H43N7O5/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(20-23-8-9-28-30(21-23)46-34(45)37-28)36-32(43)40-18-12-26(13-19-40)41-22-24-6-2-3-7-27(24)35-33(41)44/h2-3,6-9,21,25-26,29H,1,4-5,10-20,22H2,(H,35,44)(H,36,43)(H,37,45)/t29-/m1/s1
InChIKeyHBRMZOPADQKLOP-GDLZYMKVSA-N
MW629.76 g/mol
LogP3.73
Rot. Bonds6

About 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 24863332) has the molecular formula C34H43N7O5 and a molecular weight of 629.76 g/mol. Its IUPAC name is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID24863332
Molecular FormulaC34H43N7O5
Molecular Weight629.76 g/mol
Exact Mass629.33
IUPAC Name4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C34H43N7O5/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(20-23-8-9-28-30(21-23)46-34(45)37-28)36-32(43)40-18-12-26(13-19-40)41-22-24-6-2-3-7-27(24)35-33(41)44/h2-3,6-9,21,25-26,29H,1,4-5,10-20,22H2,(H,35,44)(H,36,43)(H,37,45)/t29-/m1/s1
InChIKeyHBRMZOPADQKLOP-GDLZYMKVSA-N
XLogP3.73
TPSA134.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.76
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 24863332) is 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is HBRMZOPADQKLOP-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H43N7O5/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(20-23-8-9-28-30(21-23)46-34(45)37-28)36-32(43)40-18-12-26(13-19-40)41-22-24-6-2-3-7-27(24)35-33(41)44/h2-3,6-9,21,25-26,29H,1,4-5,10-20,22H2,(H,35,44)(H,36,43)(H,37,45)/t29-/m1/s1.
What are the key properties of 4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(2R)-1-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 629.76 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-3H-1,3-benzoxazol-6-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24863332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).