N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide

C22H33N3O2 — CID 55574544

IUPACN-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
SMILESCC(C)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-8-10-19(11-9-18)22(27)25-14-12-24(13-15-25)17(3)21(26)23-20-6-4-5-7-20/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,26)
InChIKeyINZLZESYILIBRA-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.02
Rot. Bonds5

About N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide (PubChem CID 55574544) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
PubChem CID55574544
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
SMILESCC(C)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-8-10-19(11-9-18)22(27)25-14-12-24(13-15-25)17(3)21(26)23-20-6-4-5-7-20/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,26)
InChIKeyINZLZESYILIBRA-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 55489927

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide (CID 55574544) is N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide is CC(C)c1ccc(C(=O)N2CCN(C(C)C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide?
The InChIKey is INZLZESYILIBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)18-8-10-19(11-9-18)22(27)25-14-12-24(13-15-25)17(3)21(26)23-20-6-4-5-7-20/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).