(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide

C17H31N3O3 — CID 95977783

IUPAC(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide
SMILESCOCCCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-14(17(22)18-15-6-3-4-7-15)19-9-11-20(12-10-19)16(21)8-5-13-23-2/h14-15H,3-13H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyVLAXBPIQRSNRHI-AWEZNQCLSA-N
MW325.45 g/mol
LogP1.00
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide (PubChem CID 95977783) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide
PubChem CID95977783
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide
SMILESCOCCCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H31N3O3/c1-14(17(22)18-15-6-3-4-7-15)19-9-11-20(12-10-19)16(21)8-5-13-23-2/h14-15H,3-13H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyVLAXBPIQRSNRHI-AWEZNQCLSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 119877479
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
1-(4-iodopiperazin-1-yl)-4-methoxybutan-1-one
CID 174268903
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide (CID 95977783) is (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide is COCCCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide?
The InChIKey is VLAXBPIQRSNRHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-14(17(22)18-15-6-3-4-7-15)19-9-11-20(12-10-19)16(21)8-5-13-23-2/h14-15H,3-13H2,1-2H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[4-(4-methoxybutanoyl)piperazin-1-yl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 1.00, 7 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-(4-methoxybutanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95977783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).