N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C20H29N3O3 — CID 113159295

IUPACN-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16(24)23(18-5-3-4-6-18)15-20(25)22-13-11-21(12-14-22)17-7-9-19(26-2)10-8-17/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyGNWDGKVUNFQSCN-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.13
Rot. Bonds5

About N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113159295) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113159295
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16(24)23(18-5-3-4-6-18)15-20(25)22-13-11-21(12-14-22)17-7-9-19(26-2)10-8-17/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyGNWDGKVUNFQSCN-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158386
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51226334
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 46567938
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109032718

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113159295) is N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(N2CCN(C(=O)CN(C(C)=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GNWDGKVUNFQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(24)23(18-5-3-4-6-18)15-20(25)22-13-11-21(12-14-22)17-7-9-19(26-2)10-8-17/h7-10,18H,3-6,11-15H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113159295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).