2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C27H41FN4O2 — CID 46024838

IUPAC2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C27H41FN4O2/c1-21-8-4-5-14-30(21)15-7-13-29-26(33)25(22-9-2-3-10-22)31-16-18-32(19-17-31)27(34)23-11-6-12-24(28)20-23/h6,11-12,20-22,25H,2-5,7-10,13-19H2,1H3,(H,29,33)
InChIKeyBKIXRZUYWAJKFU-UHFFFAOYSA-N
MW472.65 g/mol
LogP3.52
Rot. Bonds8

About 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 46024838) has the molecular formula C27H41FN4O2 and a molecular weight of 472.65 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID46024838
Molecular FormulaC27H41FN4O2
Molecular Weight472.65 g/mol
Exact Mass472.32
IUPAC Name2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C27H41FN4O2/c1-21-8-4-5-14-30(21)15-7-13-29-26(33)25(22-9-2-3-10-22)31-16-18-32(19-17-31)27(34)23-11-6-12-24(28)20-23/h6,11-12,20-22,25H,2-5,7-10,13-19H2,1H3,(H,29,33)
InChIKeyBKIXRZUYWAJKFU-UHFFFAOYSA-N
XLogP3.52
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 53.52
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-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842812
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209757
2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42842791
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 46024838) is 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is BKIXRZUYWAJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FN4O2/c1-21-8-4-5-14-30(21)15-7-13-29-26(33)25(22-9-2-3-10-22)31-16-18-32(19-17-31)27(34)23-11-6-12-24(28)20-23/h6,11-12,20-22,25H,2-5,7-10,13-19H2,1H3,(H,29,33).
What are the key properties of 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 472.65 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 46024838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).