2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide

C27H34N4O5 — CID 46024690

IUPAC2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C27H34N4O5/c1-36-24-12-5-4-7-20(24)13-14-28-26(32)25(21-8-2-3-9-21)29-15-17-30(18-16-29)27(33)22-10-6-11-23(19-22)31(34)35/h4-7,10-12,19,21,25H,2-3,8-9,13-18H2,1H3,(H,28,32)
InChIKeyYXDIVIBSDNEIFL-UHFFFAOYSA-N
MW494.59 g/mol
LogP3.28
Rot. Bonds9

About 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024690) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024690
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C27H34N4O5/c1-36-24-12-5-4-7-20(24)13-14-28-26(32)25(21-8-2-3-9-21)29-15-17-30(18-16-29)27(33)22-10-6-11-23(19-22)31(34)35/h4-7,10-12,19,21,25H,2-3,8-9,13-18H2,1H3,(H,28,32)
InChIKeyYXDIVIBSDNEIFL-UHFFFAOYSA-N
XLogP3.28
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 93210502
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 46024703
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210129
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide (CID 46024690) is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide is COc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YXDIVIBSDNEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-36-24-12-5-4-7-20(24)13-14-28-26(32)25(21-8-2-3-9-21)29-15-17-30(18-16-29)27(33)22-10-6-11-23(19-22)31(34)35/h4-7,10-12,19,21,25H,2-3,8-9,13-18H2,1H3,(H,28,32).
What are the key properties of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 494.59 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).