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

C19H26N4O2 — CID 136853798

IUPAC(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C19H26N4O2/c1-2-3-10-20-18(24)14-7-6-11-23(12-14)13-17-21-16-9-5-4-8-15(16)19(25)22-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,21,22,25)/t14-/m1/s1
InChIKeyCUMBDHULOTWOJI-CQSZACIVSA-N
MW342.44 g/mol
LogP2.05
Rot. Bonds6

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

(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 136853798) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID136853798
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C19H26N4O2/c1-2-3-10-20-18(24)14-7-6-11-23(12-14)13-17-21-16-9-5-4-8-15(16)19(25)22-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,21,22,25)/t14-/m1/s1
InChIKeyCUMBDHULOTWOJI-CQSZACIVSA-N
XLogP2.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 137136914
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
2-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
2-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563572
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
2-[[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]-3H-quinazolin-4-one
CID 137036640
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
CID 136706993

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide (CID 136853798) is (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CUMBDHULOTWOJI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-10-20-18(24)14-7-6-11-23(12-14)13-17-21-16-9-5-4-8-15(16)19(25)22-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,21,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide?
(3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136853798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).