(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

C13H25N3O — CID 95031613

IUPAC(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H25N3O/c1-15(10-11-16-8-4-5-9-16)13(17)12-6-2-3-7-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyRRRHZSUJNBFTKA-LBPRGKRZSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide

(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (PubChem CID 95031613) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
PubChem CID95031613
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H25N3O/c1-15(10-11-16-8-4-5-9-16)13(17)12-6-2-3-7-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyRRRHZSUJNBFTKA-LBPRGKRZSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894059
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 55174038
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-(3-methoxypropyl)-N-methylpiperidine-2-carboxamide
CID 63008049
(2R)-N-methyl-N-(2-methylsulfonylethyl)piperidine-2-carboxamide;hydrochloride
CID 119725318
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide
CID 79314390

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide (CID 95031613) is (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is CN(CCN1CCCC1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
The InChIKey is RRRHZSUJNBFTKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(10-11-16-8-4-5-9-16)13(17)12-6-2-3-7-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide?
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 95031613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).