1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide

C22H24N4O2 — CID 135751825

IUPAC1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-15(20-24-19-10-6-5-9-18(19)22(28)25-20)26-13-11-16(12-14-26)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,25,28)/t15-/m1/s1
InChIKeyKOQVXMOYCLXDDX-OAHLLOKOSA-N
MW376.46 g/mol
LogP3.33
Rot. Bonds4

About 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide

1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 135751825) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID135751825
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-15(20-24-19-10-6-5-9-18(19)22(28)25-20)26-13-11-16(12-14-26)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,25,28)/t15-/m1/s1
InChIKeyKOQVXMOYCLXDDX-OAHLLOKOSA-N
XLogP3.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide with MolForge

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Related Compounds

ethyl 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-4-carboxylate
CID 135612942
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 135745906
2-[1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137152274
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136892706
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
ethyl 1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-3-carboxylate
CID 135952979
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide (CID 135751825) is 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide is C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KOQVXMOYCLXDDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(20-24-19-10-6-5-9-18(19)22(28)25-20)26-13-11-16(12-14-26)21(27)23-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,27)(H,24,25,28)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide?
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 135751825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).