N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide

C23H29N3O2 — CID 52710137

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(26-16-14-25(15-17-26)20-9-2-1-3-10-20)24-18-19-8-4-7-13-22(19)28-21-11-5-6-12-21/h1-4,7-10,13,21H,5-6,11-12,14-18H2,(H,24,27)
InChIKeyXFKKJGFJNZXBCH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.04
Rot. Bonds5

About N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide

N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 52710137) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID52710137
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(26-16-14-25(15-17-26)20-9-2-1-3-10-20)24-18-19-8-4-7-13-22(19)28-21-11-5-6-12-21/h1-4,7-10,13,21H,5-6,11-12,14-18H2,(H,24,27)
InChIKeyXFKKJGFJNZXBCH-UHFFFAOYSA-N
XLogP4.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122322
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203831
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
(3aR,7aS)-N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 124885282
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 51122736
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide (CID 52710137) is N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide is O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is XFKKJGFJNZXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(26-16-14-25(15-17-26)20-9-2-1-3-10-20)24-18-19-8-4-7-13-22(19)28-21-11-5-6-12-21/h1-4,7-10,13,21H,5-6,11-12,14-18H2,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide?
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 52710137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).