4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide

C19H36N4O — CID 60597940

IUPAC4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC1CCN(C(C)CNC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16-7-9-21(10-8-16)17(2)15-20-19(24)23-13-11-22(12-14-23)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyJXUHXEXYMZTKLI-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.38
Rot. Bonds4

About 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide

4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide (PubChem CID 60597940) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
PubChem CID60597940
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide
SMILESCC1CCN(C(C)CNC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16-7-9-21(10-8-16)17(2)15-20-19(24)23-13-11-22(12-14-23)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyJXUHXEXYMZTKLI-UHFFFAOYSA-N
XLogP2.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
N-[2-(4-methylpiperidin-1-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60597960
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934216
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide (CID 60597940) is 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide is CC1CCN(C(C)CNC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide?
The InChIKey is JXUHXEXYMZTKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-16-7-9-21(10-8-16)17(2)15-20-19(24)23-13-11-22(12-14-23)18-5-3-4-6-18/h16-18H,3-15H2,1-2H3,(H,20,24).
What are the key properties of 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 60597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).