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

C13H27Cl2N3O — CID 119828999

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-16-8-4-6-12(16)10-15-13(17)11-5-3-7-14-9-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyTUNNLRCBJGKYHO-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119828999) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119828999
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-16-8-4-6-12(16)10-15-13(17)11-5-3-7-14-9-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H
InChIKeyTUNNLRCBJGKYHO-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031263
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792
(3S)-1-(cyclopropanecarbonyl)-N-[[(2S)-1-ethylpiperidin-2-yl]methyl]piperidine-3-carboxamide
CID 124831833
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79383628
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119828999) is N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride is CCN1CCCC1CNC(=O)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is TUNNLRCBJGKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-2-16-8-4-6-12(16)10-15-13(17)11-5-3-7-14-9-11;;/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119828999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).