N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide

C18H22N4O2 — CID 137264290

IUPACN-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C18H22N4O2/c23-16(19-10-12-7-8-12)13-4-3-9-22(11-13)18-20-15-6-2-1-5-14(15)17(24)21-18/h1-2,5-6,12-13H,3-4,7-11H2,(H,19,23)(H,20,21,24)
InChIKeyPGKZNGIERZHECA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide (PubChem CID 137264290) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
PubChem CID137264290
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C18H22N4O2/c23-16(19-10-12-7-8-12)13-4-3-9-22(11-13)18-20-15-6-2-1-5-14(15)17(24)21-18/h1-2,5-6,12-13H,3-4,7-11H2,(H,19,23)(H,20,21,24)
InChIKeyPGKZNGIERZHECA-UHFFFAOYSA-N
XLogP1.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide (CID 137264290) is N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(c2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide?
The InChIKey is PGKZNGIERZHECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(19-10-12-7-8-12)13-4-3-9-22(11-13)18-20-15-6-2-1-5-14(15)17(24)21-18/h1-2,5-6,12-13H,3-4,7-11H2,(H,19,23)(H,20,21,24).
What are the key properties of N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 137264290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).