N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride

C13H24Cl2N4O — CID 119946703

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(8-17-7-6-15-10-17)16-12(18)13(2)4-3-5-14-9-13;;/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,16,18);2*1H
InChIKeyKOBFMKNDVMLAPW-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.62
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride

N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119946703) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119946703
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(8-17-7-6-15-10-17)16-12(18)13(2)4-3-5-14-9-13;;/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,16,18);2*1H
InChIKeyKOBFMKNDVMLAPW-UHFFFAOYSA-N
XLogP1.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
CID 119856882
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 63129996
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81044808
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride (CID 119946703) is N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride is CC(Cn1ccnc1)NC(=O)C1(C)CCCNC1.Cl.Cl.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is KOBFMKNDVMLAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-11(8-17-7-6-15-10-17)16-12(18)13(2)4-3-5-14-9-13;;/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride?
N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).