(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide

C20H30N4O2 — CID 98445857

IUPAC(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cn1
InChIInChI=1S/C20H30N4O2/c1-15-7-8-17(14-21-15)13-19(25)24-11-9-23(10-12-24)16(2)20(26)22-18-5-3-4-6-18/h7-8,14,16,18H,3-6,9-13H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyOVZRNXCAUZUYCQ-INIZCTEOSA-N
MW358.49 g/mol
LogP1.52
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 98445857) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
PubChem CID98445857
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cn1
InChIInChI=1S/C20H30N4O2/c1-15-7-8-17(14-21-15)13-19(25)24-11-9-23(10-12-24)16(2)20(26)22-18-5-3-4-6-18/h7-8,14,16,18H,3-6,9-13H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyOVZRNXCAUZUYCQ-INIZCTEOSA-N
XLogP1.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 86918070
1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95351676
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299605
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide (CID 98445857) is (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide is Cc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cn1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is OVZRNXCAUZUYCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-7-8-17(14-21-15)13-19(25)24-11-9-23(10-12-24)16(2)20(26)22-18-5-3-4-6-18/h7-8,14,16,18H,3-6,9-13H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 98445857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).