N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide

C19H27N3O3 — CID 110811015

IUPACN-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-4-5-15(13-17)14-18(23)21-9-11-22(12-10-21)19(24)20-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3,(H,20,24)
InChIKeyMIJFUWDMPSGDLK-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.03
Rot. Bonds4

About N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide

N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110811015) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110811015
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-25-17-8-4-5-15(13-17)14-18(23)21-9-11-22(12-10-21)19(24)20-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3,(H,20,24)
InChIKeyMIJFUWDMPSGDLK-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
4-chloro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 51129338
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide (CID 110811015) is N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide is COc1cccc(CC(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is MIJFUWDMPSGDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17-8-4-5-15(13-17)14-18(23)21-9-11-22(12-10-21)19(24)20-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12,14H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.03, 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-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110811015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).