(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide

C29H39N3O2 — CID 93221756

IUPAC(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C29H39N3O2/c1-21-8-7-11-25(20-21)30-27(33)26(22-9-5-6-10-22)31-16-18-32(19-17-31)28(34)23-12-14-24(15-13-23)29(2,3)4/h7-8,11-15,20,22,26H,5-6,9-10,16-19H2,1-4H3,(H,30,33)/t26-/m0/s1
InChIKeyVFVORJFGIGDSPN-SANMLTNESA-N
MW461.65 g/mol
LogP5.25
Rot. Bonds5

About (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide

(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide (PubChem CID 93221756) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
PubChem CID93221756
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C29H39N3O2/c1-21-8-7-11-25(20-21)30-27(33)26(22-9-5-6-10-22)31-16-18-32(19-17-31)28(34)23-12-14-24(15-13-23)29(2,3)4/h7-8,11-15,20,22,26H,5-6,9-10,16-19H2,1-4H3,(H,30,33)/t26-/m0/s1
InChIKeyVFVORJFGIGDSPN-SANMLTNESA-N
XLogP5.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
CID 93209263
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide (CID 93221756) is (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide?
The InChIKey is VFVORJFGIGDSPN-SANMLTNESA-N. The full InChI is InChI=1S/C29H39N3O2/c1-21-8-7-11-25(20-21)30-27(33)26(22-9-5-6-10-22)31-16-18-32(19-17-31)28(34)23-12-14-24(15-13-23)29(2,3)4/h7-8,11-15,20,22,26H,5-6,9-10,16-19H2,1-4H3,(H,30,33)/t26-/m0/s1.
What are the key properties of (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide?
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide has a molecular weight of 461.65 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 93221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).