(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide

C22H28N4O3 — CID 136696816

IUPAC(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H28N4O3/c27-20-12-11-15(14-26(20)16-7-3-1-2-4-8-16)21(28)23-13-19-24-18-10-6-5-9-17(18)22(29)25-19/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,23,28)(H,24,25,29)/t15-/m1/s1
InChIKeyFRMKHJSTQAXLNA-OAHLLOKOSA-N
MW396.49 g/mol
LogP2.50
Rot. Bonds4

About (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide

(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 136696816) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID136696816
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C22H28N4O3/c27-20-12-11-15(14-26(20)16-7-3-1-2-4-8-16)21(28)23-13-19-24-18-10-6-5-9-17(18)22(29)25-19/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,23,28)(H,24,25,29)/t15-/m1/s1
InChIKeyFRMKHJSTQAXLNA-OAHLLOKOSA-N
XLogP2.50
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78790796
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809
1-cyclopropyl-6-oxo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-3-carboxamide
CID 72859646
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
(3R)-1-cyclopentyl-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 42595190
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24816652
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3R)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-2-yl)-6-oxopiperidine-3-carboxamide
CID 97152048
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 119075033

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide (CID 136696816) is (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FRMKHJSTQAXLNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-20-12-11-15(14-26(20)16-7-3-1-2-4-8-16)21(28)23-13-19-24-18-10-6-5-9-17(18)22(29)25-19/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,23,28)(H,24,25,29)/t15-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136696816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).