N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide

C20H29N3O2 — CID 110810952

IUPACN-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1ccccc1CCC(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-6-2-3-7-17(16)10-11-19(24)22-12-14-23(15-13-22)20(25)21-18-8-4-5-9-18/h2-3,6-7,18H,4-5,8-15H2,1H3,(H,21,25)
InChIKeyXGMKKRZFFSEORT-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide

N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide (PubChem CID 110810952) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
PubChem CID110810952
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
SMILESCc1ccccc1CCC(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-6-2-3-7-17(16)10-11-19(24)22-12-14-23(15-13-22)20(25)21-18-8-4-5-9-18/h2-3,6-7,18H,4-5,8-15H2,1H3,(H,21,25)
InChIKeyXGMKKRZFFSEORT-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

1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
methyl 4-[4-[3-(2-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797661
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483
3-[4-[3-(2-methylphenyl)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108921809
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
N-cyclopentyl-4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811802

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide (CID 110810952) is N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide is Cc1ccccc1CCC(=O)N1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide?
The InChIKey is XGMKKRZFFSEORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-6-2-3-7-17(16)10-11-19(24)22-12-14-23(15-13-22)20(25)21-18-8-4-5-9-18/h2-3,6-7,18H,4-5,8-15H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[3-(2-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-(2-methylphenyl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 110810952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).