3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

C18H35ClN4O2 — CID 119594752

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(C)N)C2)C1.Cl
InChIInChI=1S/C18H34N4O2.ClH/c1-13(2)10-20-18(24)22-9-5-7-16(12-22)17(23)21-8-4-6-15(11-21)14(3)19;/h13-16H,4-12,19H2,1-3H3,(H,20,24);1H
InChIKeyDOFVSALZFPKHSK-UHFFFAOYSA-N
MW374.96 g/mol
LogP2.07
Rot. Bonds4

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 119594752) has the molecular formula C18H35ClN4O2 and a molecular weight of 374.96 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
PubChem CID119594752
Molecular FormulaC18H35ClN4O2
Molecular Weight374.96 g/mol
Exact Mass374.24
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(C)N)C2)C1.Cl
InChIInChI=1S/C18H34N4O2.ClH/c1-13(2)10-20-18(24)22-9-5-7-16(12-22)17(23)21-8-4-6-15(11-21)14(3)19;/h13-16H,4-12,19H2,1-3H3,(H,20,24);1H
InChIKeyDOFVSALZFPKHSK-UHFFFAOYSA-N
XLogP2.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120746164
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (CID 119594752) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(C(=O)N2CCCC(C(C)N)C2)C1.Cl.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is DOFVSALZFPKHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2.ClH/c1-13(2)10-20-18(24)22-9-5-7-16(12-22)17(23)21-8-4-6-15(11-21)14(3)19;/h13-16H,4-12,19H2,1-3H3,(H,20,24);1H.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119594752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).