(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide

C25H37N3O2 — CID 93209263

IUPAC(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)NC3CC3)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O2/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-16-14-27(15-17-28)22(18-6-4-5-7-18)23(29)26-21-12-13-21/h8-11,18,21-22H,4-7,12-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyAIAJKQRLFTUNFY-JOCHJYFZSA-N
MW411.59 g/mol
LogP3.58
Rot. Bonds5

About (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide

(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide (PubChem CID 93209263) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
PubChem CID93209263
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)NC3CC3)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H37N3O2/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-16-14-27(15-17-28)22(18-6-4-5-7-18)23(29)26-21-12-13-21/h8-11,18,21-22H,4-7,12-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyAIAJKQRLFTUNFY-JOCHJYFZSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42842524
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
(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-N-(oxolan-2-ylmethyl)acetamide
CID 46024452
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209680
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210339
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide?
The IUPAC name of (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide (CID 93209263) is (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide.
What is the SMILES notation for (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide?
The canonical SMILES for (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide is CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)NC3CC3)C3CCCC3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide?
The InChIKey is AIAJKQRLFTUNFY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-25(2,3)20-10-8-19(9-11-20)24(30)28-16-14-27(15-17-28)22(18-6-4-5-7-18)23(29)26-21-12-13-21/h8-11,18,21-22H,4-7,12-17H2,1-3H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide?
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide has a molecular weight of 411.59 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide is sourced from PubChem (CID 93209263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).