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

C16H31N3O — CID 24710095

IUPAC6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESCC1CCCC(C(=O)NCCCN2CCCCC2C)N1
InChIInChI=1S/C16H31N3O/c1-13-7-5-9-15(18-13)16(20)17-10-6-12-19-11-4-3-8-14(19)2/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyNLKJASUDNOPSFR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds5

About 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide

6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide (PubChem CID 24710095) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
PubChem CID24710095
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
SMILESCC1CCCC(C(=O)NCCCN2CCCCC2C)N1
InChIInChI=1S/C16H31N3O/c1-13-7-5-9-15(18-13)16(20)17-10-6-12-19-11-4-3-8-14(19)2/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyNLKJASUDNOPSFR-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
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-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119850930
3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
N-(2-cyclopentylethyl)-6-methylpiperidine-2-carboxamide
CID 54932990
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62782327
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
6-methyl-N-[2-(methylsulfamoyl)ethyl]piperidine-2-carboxamide
CID 114175577

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide (CID 24710095) is 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide is CC1CCCC(C(=O)NCCCN2CCCCC2C)N1.
What is the InChIKey of 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
The InChIKey is NLKJASUDNOPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-7-5-9-15(18-13)16(20)17-10-6-12-19-11-4-3-8-14(19)2/h13-15,18H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide?
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 24710095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).