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

C26H41N3O3 — CID 42842568

IUPAC2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
SMILESCCCCc1ccc(C(=O)N2CCN(C(C(=O)NCCCOC)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H41N3O3/c1-3-4-8-21-11-13-23(14-12-21)26(31)29-18-16-28(17-19-29)24(22-9-5-6-10-22)25(30)27-15-7-20-32-2/h11-14,22,24H,3-10,15-20H2,1-2H3,(H,27,30)
InChIKeyAJZHLUZMZIGMEE-UHFFFAOYSA-N
MW443.63 g/mol
LogP3.50
Rot. Bonds11

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

2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide (PubChem CID 42842568) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
PubChem CID42842568
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
SMILESCCCCc1ccc(C(=O)N2CCN(C(C(=O)NCCCOC)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H41N3O3/c1-3-4-8-21-11-13-23(14-12-21)26(31)29-18-16-28(17-19-29)24(22-9-5-6-10-22)25(30)27-15-7-20-32-2/h11-14,22,24H,3-10,15-20H2,1-2H3,(H,27,30)
InChIKeyAJZHLUZMZIGMEE-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
(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-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024383
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 93210502
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
(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
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide (CID 42842568) is 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide is CCCCc1ccc(C(=O)N2CCN(C(C(=O)NCCCOC)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide?
The InChIKey is AJZHLUZMZIGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-3-4-8-21-11-13-23(14-12-21)26(31)29-18-16-28(17-19-29)24(22-9-5-6-10-22)25(30)27-15-7-20-32-2/h11-14,22,24H,3-10,15-20H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide?
2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide has a molecular weight of 443.63 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 42842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).