N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide

C20H29N3O3 — CID 110812906

IUPACN-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-7-8-18(26-2)16(13-15)14-19(24)22-9-11-23(12-10-22)20(25)21-17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyADQLXPBWAZMNCB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.34
Rot. Bonds4

About N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide

N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110812906) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110812906
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-7-8-18(26-2)16(13-15)14-19(24)22-9-11-23(12-10-22)20(25)21-17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyADQLXPBWAZMNCB-UHFFFAOYSA-N
XLogP2.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
N-cyclohexyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813819
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813845
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 43422284
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide (CID 110812906) is N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide is COc1ccc(C)cc1CC(=O)N1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is ADQLXPBWAZMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-7-8-18(26-2)16(13-15)14-19(24)22-9-11-23(12-10-22)20(25)21-17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110812906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).