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

C13H25N3O — CID 106026312

IUPAC6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC2CCCN2C)CN1
InChIInChI=1S/C13H25N3O/c1-10-5-6-11(8-14-10)13(17)15-9-12-4-3-7-16(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyOTLYHAOVHAGBRL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.58
Rot. Bonds3

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

6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 106026312) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID106026312
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC2CCCN2C)CN1
InChIInChI=1S/C13H25N3O/c1-10-5-6-11(8-14-10)13(17)15-9-12-4-3-7-16(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyOTLYHAOVHAGBRL-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 79319499
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
3-amino-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 114138626
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
6-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 24707818

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide (CID 106026312) is 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide is CC1CCC(C(=O)NCC2CCCN2C)CN1.
What is the InChIKey of 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OTLYHAOVHAGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-5-6-11(8-14-10)13(17)15-9-12-4-3-7-16(12)2/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide?
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 106026312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).