(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

C25H39N3O2 — CID 93209356

IUPAC(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)CC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H39N3O2/c1-25(2,3)19-22(29)27-15-17-28(18-16-27)23(21-11-7-8-12-21)24(30)26-14-13-20-9-5-4-6-10-20/h4-6,9-10,21,23H,7-8,11-19H2,1-3H3,(H,26,30)/t23-/m0/s1
InChIKeyTXGBRXKIKSTPOI-QHCPKHFHSA-N
MW413.61 g/mol
LogP3.48
Rot. Bonds7

About (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 93209356) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID93209356
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)CC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H39N3O2/c1-25(2,3)19-22(29)27-15-17-28(18-16-27)23(21-11-7-8-12-21)24(30)26-14-13-20-9-5-4-6-10-20/h4-6,9-10,21,23H,7-8,11-19H2,1-3H3,(H,26,30)/t23-/m0/s1
InChIKeyTXGBRXKIKSTPOI-QHCPKHFHSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
(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
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 24719206
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642
(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
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-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 93209356) is (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is CC(C)(C)CC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is TXGBRXKIKSTPOI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-25(2,3)19-22(29)27-15-17-28(18-16-27)23(21-11-7-8-12-21)24(30)26-14-13-20-9-5-4-6-10-20/h4-6,9-10,21,23H,7-8,11-19H2,1-3H3,(H,26,30)/t23-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 413.61 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 93209356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).