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

C26H40N4O2 — CID 93210313

IUPAC(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1ccccc1C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C26H40N4O2/c1-21-9-3-6-12-23(21)26(32)30-19-17-29(18-20-30)24(22-10-4-5-11-22)25(31)27-13-16-28-14-7-2-8-15-28/h3,6,9,12,22,24H,2,4-5,7-8,10-11,13-20H2,1H3,(H,27,31)/t24-/m0/s1
InChIKeyUMHNSOVDYJUTIT-DEOSSOPVSA-N
MW440.63 g/mol
LogP2.91
Rot. Bonds7

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

(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 93210313) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID93210313
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCc1ccccc1C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C26H40N4O2/c1-21-9-3-6-12-23(21)26(32)30-19-17-29(18-20-30)24(22-10-4-5-11-22)25(31)27-13-16-28-14-7-2-8-15-28/h3,6,9,12,22,24H,2,4-5,7-8,10-11,13-20H2,1H3,(H,27,31)/t24-/m0/s1
InChIKeyUMHNSOVDYJUTIT-DEOSSOPVSA-N
XLogP2.91
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 46152900
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 93210313) is (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is Cc1ccccc1C(=O)N1CCN([C@H](C(=O)NCCN2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is UMHNSOVDYJUTIT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-21-9-3-6-12-23(21)26(32)30-19-17-29(18-20-30)24(22-10-4-5-11-22)25(31)27-13-16-28-14-7-2-8-15-28/h3,6,9,12,22,24H,2,4-5,7-8,10-11,13-20H2,1H3,(H,27,31)/t24-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 440.63 g/mol, XLogP of 2.91, 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-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 93210313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).