N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride

C16H33Cl2N3O — CID 154911287

IUPACN-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride
SMILESCC(C)(CN1CCCCC1)NC(=O)C1CCCNCC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-16(2,13-19-11-4-3-5-12-19)18-15(20)14-7-6-9-17-10-8-14;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H
InChIKeyZKOMSHOVEMONBG-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.60
Rot. Bonds4

About N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride

N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride (PubChem CID 154911287) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride
PubChem CID154911287
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC NameN-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride
SMILESCC(C)(CN1CCCCC1)NC(=O)C1CCCNCC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-16(2,13-19-11-4-3-5-12-19)18-15(20)14-7-6-9-17-10-8-14;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H
InChIKeyZKOMSHOVEMONBG-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 44890741
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-tert-butylsulfanylazepane-4-carboxamide
CID 143994518
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
3-methyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 70094312
N-piperidin-1-ylpiperidine-4-carboxamide
CID 770166
N-cycloheptylpiperidine-4-carboxamide;hydrochloride
CID 70702347

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride (CID 154911287) is N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride is CC(C)(CN1CCCCC1)NC(=O)C1CCCNCC1.Cl.Cl.
What is the InChIKey of N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride?
The InChIKey is ZKOMSHOVEMONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-16(2,13-19-11-4-3-5-12-19)18-15(20)14-7-6-9-17-10-8-14;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride?
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).