(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H26ClN3O — CID 122081585

IUPAC(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN1CCCCC1CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-16-9-4-3-6-11(16)10-15-13(17)12-7-5-8-14-12;/h11-12,14H,2-10H2,1H3,(H,15,17);1H/t11?,12-;/m0./s1
InChIKeySBUREXCLCXIAAE-MMFRDWCLSA-N
MW275.82 g/mol
LogP1.15
Rot. Bonds4

About (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081585) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081585
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN1CCCCC1CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-16-9-4-3-6-11(16)10-15-13(17)12-7-5-8-14-12;/h11-12,14H,2-10H2,1H3,(H,15,17);1H/t11?,12-;/m0./s1
InChIKeySBUREXCLCXIAAE-MMFRDWCLSA-N
XLogP1.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119874861
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79383628
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470158
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 103814109
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 122081585) is (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CCN1CCCCC1CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SBUREXCLCXIAAE-MMFRDWCLSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-2-16-9-4-3-6-11(16)10-15-13(17)12-7-5-8-14-12;/h11-12,14H,2-10H2,1H3,(H,15,17);1H/t11?,12-;/m0./s1.
What are the key properties of (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).