N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride

C13H29Cl2N3O — CID 119860546

IUPACN-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-4-16(5-2)10-11(3)15-13(17)12-8-6-7-9-14-12;;/h11-12,14H,4-10H2,1-3H3,(H,15,17);2*1H
InChIKeyYVTZQVBEYYOIIP-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.82
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride

N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119860546) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119860546
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-4-16(5-2)10-11(3)15-13(17)12-8-6-7-9-14-12;;/h11-12,14H,4-10H2,1-3H3,(H,15,17);2*1H
InChIKeyYVTZQVBEYYOIIP-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119789194
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
(2R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103811787
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119330672

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride (CID 119860546) is N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride is CCN(CC)CC(C)NC(=O)C1CCCCN1.Cl.Cl.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is YVTZQVBEYYOIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-4-16(5-2)10-11(3)15-13(17)12-8-6-7-9-14-12;;/h11-12,14H,4-10H2,1-3H3,(H,15,17);2*1H.
What are the key properties of N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride?
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119860546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).