(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C30H41N3O2 — CID 93222013

IUPAC(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC[C@H](C(=O)N1CCN([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C30H41N3O2/c1-4-27(24-10-6-5-7-11-24)30(35)33-20-18-32(19-21-33)28(25-12-8-9-13-25)29(34)31-26-16-14-23(15-17-26)22(2)3/h5-7,10-11,14-17,22,25,27-28H,4,8-9,12-13,18-21H2,1-3H3,(H,31,34)/t27-,28-/m0/s1
InChIKeyAORRLBCYCNIYPX-NSOVKSMOSA-N
MW475.68 g/mol
LogP5.65
Rot. Bonds8

About (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 93222013) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID93222013
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC Name(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC[C@H](C(=O)N1CCN([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C30H41N3O2/c1-4-27(24-10-6-5-7-11-24)30(35)33-20-18-32(19-21-33)28(25-12-8-9-13-25)29(34)31-26-16-14-23(15-17-26)22(2)3/h5-7,10-11,14-17,22,25,27-28H,4,8-9,12-13,18-21H2,1-3H3,(H,31,34)/t27-,28-/m0/s1
InChIKeyAORRLBCYCNIYPX-NSOVKSMOSA-N
XLogP5.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027567
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 93221257
4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 46027294
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 93222013) is (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC[C@H](C(=O)N1CCN([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AORRLBCYCNIYPX-NSOVKSMOSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-4-27(24-10-6-5-7-11-24)30(35)33-20-18-32(19-21-33)28(25-12-8-9-13-25)29(34)31-26-16-14-23(15-17-26)22(2)3/h5-7,10-11,14-17,22,25,27-28H,4,8-9,12-13,18-21H2,1-3H3,(H,31,34)/t27-,28-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 475.68 g/mol, XLogP of 5.65, 8 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-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 93222013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).