N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride

C14H31Cl2N3O2 — CID 119897013

IUPACN-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-4-19-13(7-9-17(2)3)11-16-14(18)12-6-5-8-15-10-12;;/h12-13,15H,4-11H2,1-3H3,(H,16,18);2*1H
InChIKeyIRHOJLJYHGFJNH-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.30
Rot. Bonds8

About N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride

N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119897013) has the molecular formula C14H31Cl2N3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119897013
Molecular FormulaC14H31Cl2N3O2
Molecular Weight344.33 g/mol
Exact Mass343.18
IUPAC NameN-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H29N3O2.2ClH/c1-4-19-13(7-9-17(2)3)11-16-14(18)12-6-5-8-15-10-12;;/h12-13,15H,4-11H2,1-3H3,(H,16,18);2*1H
InChIKeyIRHOJLJYHGFJNH-UHFFFAOYSA-N
XLogP1.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640
(3R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123203
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340
(3R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-3-carboxamide
CID 81141730
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
CID 119338471
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)piperidine-3-carboxamide;dihydrochloride
CID 119842158

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride (CID 119897013) is N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride is CCOC(CCN(C)C)CNC(=O)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is IRHOJLJYHGFJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.2ClH/c1-4-19-13(7-9-17(2)3)11-16-14(18)12-6-5-8-15-10-12;;/h12-13,15H,4-11H2,1-3H3,(H,16,18);2*1H.
What are the key properties of N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride?
N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-ethoxybutyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).