4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide

C16H31N3O — CID 114422620

IUPAC4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C16H31N3O/c1-13-7-9-17-15(12-13)16(20)18-8-5-11-19-10-4-3-6-14(19)2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyXATVKUOQDRNCPT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds5

About 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide

4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide (PubChem CID 114422620) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
PubChem CID114422620
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCN2CCCCC2C)C1
InChIInChI=1S/C16H31N3O/c1-13-7-9-17-15(12-13)16(20)18-8-5-11-19-10-4-3-6-14(19)2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyXATVKUOQDRNCPT-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 61214890
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 24710095
N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62782327
(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98477675
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide (CID 114422620) is 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCCCN2CCCCC2C)C1.
What is the InChIKey of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The InChIKey is XATVKUOQDRNCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-7-9-17-15(12-13)16(20)18-8-5-11-19-10-4-3-6-14(19)2/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).