(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide

C14H27N3O — CID 119894086

IUPAC(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCC1CCCCN1C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c1-16-10-4-3-6-12(16)8-11-17(2)14(18)13-7-5-9-15-13/h12-13,15H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyPGDUGAMSYHLEIP-ABLWVSNPSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119894086) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119894086
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCC1CCCCN1C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c1-16-10-4-3-6-12(16)8-11-17(2)14(18)13-7-5-9-15-13/h12-13,15H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyPGDUGAMSYHLEIP-ABLWVSNPSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894059
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]azepane-2-carboxamide
CID 79314390
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-methyl-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]pyrrolidine-2-carboxamide;trihydrochloride
CID 119903703
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-2-carboxamide
CID 115159827
(2S,5R)-5-(aminomethyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]oxolane-2-carboxamide
CID 120801102
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 119894086) is (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide is CN(CCC1CCCCN1C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PGDUGAMSYHLEIP-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-10-4-3-6-12(16)8-11-17(2)14(18)13-7-5-9-15-13/h12-13,15H,3-11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 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-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119894086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).