N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

C16H29N3O2 — CID 71840439

IUPACN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJXQYMYGEDZBJLK-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.12
Rot. Bonds4

About N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840439) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840439
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJXQYMYGEDZBJLK-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cycloheptyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678007
N~1~-propylpiperidine-1,3-dicarboxamide
CID 2952083
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
2,2-Dimethyl-N-[1-(pyrrolidine-1-carbonyl)-piperidin-4-yl]-propionamide
CID 648075
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
N-[1-(Pyrrolidine-1-carbonyl)-piperidin-4-yl]-acetamide
CID 651282
N~4~-(sec-butyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3239385
N-[2-(cyclopentanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145133
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
1-(1-Acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea
CID 22510704
N~1~-cyclohexyl-4-[2-(isobutyrylamino)ethyl]tetrahydro-1(2H)-pyridinecarboxamide
CID 46381862

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (CID 71840439) is N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is CC(C)C(=O)NCC1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is JXQYMYGEDZBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)15(20)17-10-13-6-5-9-19(11-13)16(21)18-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).