4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide

C15H31N3O — CID 114423872

IUPAC4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCCN(C)C(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)18(4)10-6-5-8-17-15(19)14-11-13(3)7-9-16-14/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyLEFWVDZRZHKQFM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide

4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide (PubChem CID 114423872) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
PubChem CID114423872
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCCN(C)C(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)18(4)10-6-5-8-17-15(19)14-11-13(3)7-9-16-14/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyLEFWVDZRZHKQFM-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
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-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-ethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 114428936
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-2-carboxamide
CID 114140614
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide (CID 114423872) is 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCCCCN(C)C(C)C)C1.
What is the InChIKey of 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide?
The InChIKey is LEFWVDZRZHKQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18(4)10-6-5-8-17-15(19)14-11-13(3)7-9-16-14/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide?
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide is sourced from PubChem (CID 114423872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).