N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide

C21H28N4O3 — CID 46966128

IUPACN-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)NC1CCCC1
InChIInChI=1S/C21H28N4O3/c26-19(23-16-5-1-2-6-16)13-24-11-9-21(28,10-12-24)14-25-15-22-18-8-4-3-7-17(18)20(25)27/h3-4,7-8,15-16,28H,1-2,5-6,9-14H2,(H,23,26)
InChIKeyLRJKWLZSUKJPRO-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.28
Rot. Bonds5

About N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide

N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 46966128) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
PubChem CID46966128
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)NC1CCCC1
InChIInChI=1S/C21H28N4O3/c26-19(23-16-5-1-2-6-16)13-24-11-9-21(28,10-12-24)14-25-15-22-18-8-4-3-7-17(18)20(25)27/h3-4,7-8,15-16,28H,1-2,5-6,9-14H2,(H,23,26)
InChIKeyLRJKWLZSUKJPRO-UHFFFAOYSA-N
XLogP1.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92582048
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
2-methoxyethyl 2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetate
CID 46955302
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221527
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
tert-butyl 4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 71278911
N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide;trihydrochloride
CID 3053772
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92594591
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide (CID 46966128) is N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide is O=C(CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is LRJKWLZSUKJPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19(23-16-5-1-2-6-16)13-24-11-9-21(28,10-12-24)14-25-15-22-18-8-4-3-7-17(18)20(25)27/h3-4,7-8,15-16,28H,1-2,5-6,9-14H2,(H,23,26).
What are the key properties of N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide?
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 46966128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).