(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

C22H33N3O2 — CID 93210620

IUPAC(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-23-22(27)21(19-10-6-7-11-19)25-16-14-24(15-17-25)20(26)13-12-18-8-4-3-5-9-18/h3-5,8-9,19,21H,2,6-7,10-17H2,1H3,(H,23,27)/t21-/m0/s1
InChIKeyJMJGUVUTMBMNTH-NRFANRHFSA-N
MW371.53 g/mol
LogP2.46
Rot. Bonds7

About (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 93210620) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID93210620
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c1-2-23-22(27)21(19-10-6-7-11-19)25-16-14-24(15-17-25)20(26)13-12-18-8-4-3-5-9-18/h3-5,8-9,19,21H,2,6-7,10-17H2,1H3,(H,23,27)/t21-/m0/s1
InChIKeyJMJGUVUTMBMNTH-NRFANRHFSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (CID 93210620) is (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is JMJGUVUTMBMNTH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-23-22(27)21(19-10-6-7-11-19)25-16-14-24(15-17-25)20(26)13-12-18-8-4-3-5-9-18/h3-5,8-9,19,21H,2,6-7,10-17H2,1H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).