N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide

C20H29N3O2 — CID 110810944

IUPACN-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-16-5-4-6-17(15-16)9-10-19(24)22-11-13-23(14-12-22)20(25)21-18-7-2-3-8-18/h4-6,15,18H,2-3,7-14H2,1H3,(H,21,25)
InChIKeyXKLQMMNVBFJWHV-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide

N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide (PubChem CID 110810944) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
PubChem CID110810944
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-16-5-4-6-17(15-16)9-10-19(24)22-11-13-23(14-12-22)20(25)21-18-7-2-3-8-18/h4-6,15,18H,2-3,7-14H2,1H3,(H,21,25)
InChIKeyXKLQMMNVBFJWHV-UHFFFAOYSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811802
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810952
N-(2,2-dimethylpropyl)-4-[3-(3-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811784
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 55564382

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide (CID 110810944) is N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide is Cc1cccc(CCC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
The InChIKey is XKLQMMNVBFJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-5-4-6-17(15-16)9-10-19(24)22-11-13-23(14-12-22)20(25)21-18-7-2-3-8-18/h4-6,15,18H,2-3,7-14H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).