2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C23H35N3O4 — CID 46152963

IUPAC2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H35N3O4/c1-29-17-5-12-24-22(27)21(18-6-3-4-7-18)25-13-15-26(16-14-25)23(28)19-8-10-20(30-2)11-9-19/h8-11,18,21H,3-7,12-17H2,1-2H3,(H,24,27)
InChIKeyQQWYPQMQMVMVDZ-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.16
Rot. Bonds9

About 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 46152963) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID46152963
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H35N3O4/c1-29-17-5-12-24-22(27)21(18-6-3-4-7-18)25-13-15-26(16-14-25)23(28)19-8-10-20(30-2)11-9-19/h8-11,18,21H,3-7,12-17H2,1-2H3,(H,24,27)
InChIKeyQQWYPQMQMVMVDZ-UHFFFAOYSA-N
XLogP2.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
CID 42842568
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210467
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024383
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 93210502
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(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-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842761

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 46152963) is 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is QQWYPQMQMVMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-29-17-5-12-24-22(27)21(18-6-3-4-7-18)25-13-15-26(16-14-25)23(28)19-8-10-20(30-2)11-9-19/h8-11,18,21H,3-7,12-17H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 417.55 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46152963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).