N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide

C29H40N4O4 — CID 41146099

IUPACN-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CC2CCC(C(=O)NC3CCCC3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C29H40N4O4/c1-20-8-6-7-17-31(20)26(34)19-32-25-12-5-4-11-24(25)28(36)33(29(32)37)18-21-13-15-22(16-14-21)27(35)30-23-9-2-3-10-23/h4-5,11-12,20-23H,2-3,6-10,13-19H2,1H3,(H,30,35)/t20-,21?,22?/m1/s1
InChIKeyQZKJMBCZHUPSHX-ITAUSPCMSA-N
MW508.66 g/mol
LogP3.43
Rot. Bonds6

About N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide

N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 41146099) has the molecular formula C29H40N4O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
PubChem CID41146099
Molecular FormulaC29H40N4O4
Molecular Weight508.66 g/mol
Exact Mass508.30
IUPAC NameN-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CC2CCC(C(=O)NC3CCCC3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C29H40N4O4/c1-20-8-6-7-17-31(20)26(34)19-32-25-12-5-4-11-24(25)28(36)33(29(32)37)18-21-13-15-22(16-14-21)27(35)30-23-9-2-3-10-23/h4-5,11-12,20-23H,2-3,6-10,13-19H2,1H3,(H,30,35)/t20-,21?,22?/m1/s1
InChIKeyQZKJMBCZHUPSHX-ITAUSPCMSA-N
XLogP3.43
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.66
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 42584674
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429437
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-methyl-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indole-3-carbaldehyde
CID 7098941
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 16668989
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
2-[3-(2-aminobutyl)-2-methylindol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 170889788
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide (CID 41146099) is N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide is C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CC2CCC(C(=O)NC3CCCC3)CC2)c(=O)c2ccccc21.
What is the InChIKey of N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is QZKJMBCZHUPSHX-ITAUSPCMSA-N. The full InChI is InChI=1S/C29H40N4O4/c1-20-8-6-7-17-31(20)26(34)19-32-25-12-5-4-11-24(25)28(36)33(29(32)37)18-21-13-15-22(16-14-21)27(35)30-23-9-2-3-10-23/h4-5,11-12,20-23H,2-3,6-10,13-19H2,1H3,(H,30,35)/t20-,21?,22?/m1/s1.
What are the key properties of N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide?
N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 508.66 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 41146099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).