N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide

C12H23N3O — CID 104870234

IUPACN-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C12H23N3O/c1-13-12(16)10-4-3-7-15(8-10)9-11-5-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,13,16)/t10?,11-/m0/s1
InChIKeyPTSFYTPQDQXSLX-DTIOYNMSSA-N
MW225.34 g/mol
LogP0.20
Rot. Bonds3

About N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide

N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 104870234) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID104870234
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C12H23N3O/c1-13-12(16)10-4-3-7-15(8-10)9-11-5-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,13,16)/t10?,11-/m0/s1
InChIKeyPTSFYTPQDQXSLX-DTIOYNMSSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
2-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-3-yl]ethanol
CID 104870213
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide (CID 104870234) is N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(C[C@@H]2CCCN2)C1.
What is the InChIKey of N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is PTSFYTPQDQXSLX-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-12(16)10-4-3-7-15(8-10)9-11-5-2-6-14-11/h10-11,14H,2-9H2,1H3,(H,13,16)/t10?,11-/m0/s1.
What are the key properties of N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 104870234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).