3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide

C20H26N4O — CID 95205398

IUPAC3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
SMILESCc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C20H26N4O/c1-13-17-10-15-5-2-6-16(15)11-18(17)23-20(22-13)24-9-3-4-14(12-24)7-8-19(21)25/h10-11,14H,2-9,12H2,1H3,(H2,21,25)/t14-/m0/s1
InChIKeyODEYSJVJBORHFP-AWEZNQCLSA-N
MW338.46 g/mol
LogP2.91
Rot. Bonds4

About 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide

3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide (PubChem CID 95205398) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
PubChem CID95205398
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
SMILESCc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C20H26N4O/c1-13-17-10-15-5-2-6-16(15)11-18(17)23-20(22-13)24-9-3-4-14(12-24)7-8-19(21)25/h10-11,14H,2-9,12H2,1H3,(H2,21,25)/t14-/m0/s1
InChIKeyODEYSJVJBORHFP-AWEZNQCLSA-N
XLogP2.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide with MolForge

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Related Compounds

3-[(3R)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide
CID 95205397
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
CID 72927654
(2R)-4-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 95211754
3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 72939716
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45179400
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 171359553
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide (CID 95205398) is 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide is Cc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3.
What is the InChIKey of 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide?
The InChIKey is ODEYSJVJBORHFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-17-10-15-5-2-6-16(15)11-18(17)23-20(22-13)24-9-3-4-14(12-24)7-8-19(21)25/h10-11,14H,2-9,12H2,1H3,(H2,21,25)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide?
3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 95205398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).