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

C13H25N3O — CID 113267408

IUPAC(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
SMILESCCN1CCC(CNC(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C13H25N3O/c1-2-16-8-6-11(10-16)9-15-13(17)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyLTJCCLCXRPBKSN-KIYNQFGBSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds4

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

(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 113267408) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
PubChem CID113267408
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
SMILESCCN1CCC(CNC(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C13H25N3O/c1-2-16-8-6-11(10-16)9-15-13(17)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyLTJCCLCXRPBKSN-KIYNQFGBSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide
CID 60857198
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 114399899
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide (CID 113267408) is (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide is CCN1CCC(CNC(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is LTJCCLCXRPBKSN-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16-8-6-11(10-16)9-15-13(17)12-5-3-4-7-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide?
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 113267408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).