(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide

C11H23N3O — CID 81134967

IUPAC(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNCCCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H23N3O/c1-12-6-4-8-14(2)11(15)10-5-3-7-13-9-10/h10,12-13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyPOEGNVZUCGPDSD-JTQLQIEISA-N
MW213.32 g/mol
LogP0.05
Rot. Bonds5

About (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide

(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide (PubChem CID 81134967) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
PubChem CID81134967
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
SMILESCNCCCN(C)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H23N3O/c1-12-6-4-8-14(2)11(15)10-5-3-7-13-9-10/h10,12-13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyPOEGNVZUCGPDSD-JTQLQIEISA-N
XLogP0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.05
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-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299426
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 43579066
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119331855

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide (CID 81134967) is (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide is CNCCCN(C)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide?
The InChIKey is POEGNVZUCGPDSD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-6-4-8-14(2)11(15)10-5-3-7-13-9-10/h10,12-13H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide?
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 81134967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).