2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide

C22H28N4O3 — CID 137200046

IUPAC2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H28N4O3/c27-19(13-15-5-1-2-6-15)23-14-16-9-11-26(12-10-16)22(29)20-24-18-8-4-3-7-17(18)21(28)25-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,23,27)(H,24,25,28)
InChIKeyWSZGDLUVGBUWOZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.47
Rot. Bonds5

About 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide

2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 137200046) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID137200046
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H28N4O3/c27-19(13-15-5-1-2-6-15)23-14-16-9-11-26(12-10-16)22(29)20-24-18-8-4-3-7-17(18)21(28)25-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,23,27)(H,24,25,28)
InChIKeyWSZGDLUVGBUWOZ-UHFFFAOYSA-N
XLogP2.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
2-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 135966433
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
CID 121109192
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-(4-phenylpiperazine-1-carbonyl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154890246
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131904491
2-[[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]sulfanylmethyl]-3H-quinazolin-4-one;hydrochloride
CID 137119950

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide (CID 137200046) is 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide is O=C(CC1CCCC1)NCC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is WSZGDLUVGBUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-19(13-15-5-1-2-6-15)23-14-16-9-11-26(12-10-16)22(29)20-24-18-8-4-3-7-17(18)21(28)25-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,23,27)(H,24,25,28).
What are the key properties of 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide?
2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[1-(4-oxo-3H-quinazoline-2-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 137200046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).