(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide

C25H37FN4O2 — CID 93210274

IUPAC(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H37FN4O2/c26-22-10-8-21(9-11-22)25(32)30-18-16-29(17-19-30)23(20-6-2-3-7-20)24(31)27-12-15-28-13-4-1-5-14-28/h8-11,20,23H,1-7,12-19H2,(H,27,31)/t23-/m0/s1
InChIKeyMXVWPLYGKGKYQY-QHCPKHFHSA-N
MW444.60 g/mol
LogP2.74
Rot. Bonds7

About (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide

(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 93210274) has the molecular formula C25H37FN4O2 and a molecular weight of 444.60 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID93210274
Molecular FormulaC25H37FN4O2
Molecular Weight444.60 g/mol
Exact Mass444.29
IUPAC Name(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H37FN4O2/c26-22-10-8-21(9-11-22)25(32)30-18-16-29(17-19-30)23(20-6-2-3-7-20)24(31)27-12-15-28-13-4-1-5-14-28/h8-11,20,23H,1-7,12-19H2,(H,27,31)/t23-/m0/s1
InChIKeyMXVWPLYGKGKYQY-QHCPKHFHSA-N
XLogP2.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210339
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 93210274) is (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is O=C(NCCN1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is MXVWPLYGKGKYQY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H37FN4O2/c26-22-10-8-21(9-11-22)25(32)30-18-16-29(17-19-30)23(20-6-2-3-7-20)24(31)27-12-15-28-13-4-1-5-14-28/h8-11,20,23H,1-7,12-19H2,(H,27,31)/t23-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 444.60 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 93210274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).