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

C24H35N3O2 — CID 93210063

IUPAC(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESO=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H35N3O2/c28-22(13-12-19-6-2-1-3-7-19)26-14-16-27(17-15-26)23(21-8-4-5-9-21)24(29)25-18-20-10-11-20/h1-3,6-7,20-21,23H,4-5,8-18H2,(H,25,29)/t23-/m0/s1
InChIKeyCCPKFUWLJNNXQG-QHCPKHFHSA-N
MW397.56 g/mol
LogP2.85
Rot. Bonds8

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

(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 93210063) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID93210063
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESO=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H35N3O2/c28-22(13-12-19-6-2-1-3-7-19)26-14-16-27(17-15-26)23(21-8-4-5-9-21)24(29)25-18-20-10-11-20/h1-3,6-7,20-21,23H,4-5,8-18H2,(H,25,29)/t23-/m0/s1
InChIKeyCCPKFUWLJNNXQG-QHCPKHFHSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
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-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 24719963
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
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-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (CID 93210063) is (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is O=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is CCPKFUWLJNNXQG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-22(13-12-19-6-2-1-3-7-19)26-14-16-27(17-15-26)23(21-8-4-5-9-21)24(29)25-18-20-10-11-20/h1-3,6-7,20-21,23H,4-5,8-18H2,(H,25,29)/t23-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 397.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).