N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride

C12H25ClN2O — CID 47002845

IUPACN,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)N(C(=O)C1CCNCC1)C(C)C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyBIOZBHCUXCEBCP-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds3

About N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride

N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 47002845) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID47002845
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)N(C(=O)C1CCNCC1)C(C)C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyBIOZBHCUXCEBCP-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-4-carboxamide
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N,N-dipropylpiperidine-4-carboxamide;hydrochloride
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N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
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N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
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CID 56831937
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-cyclopentyl-N-ethylpiperidine-4-carboxamide;hydrochloride
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N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
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CID 79721373

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride (CID 47002845) is N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride is CC(C)N(C(=O)C1CCNCC1)C(C)C.Cl.
What is the InChIKey of N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is BIOZBHCUXCEBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)14(10(3)4)12(15)11-5-7-13-8-6-11;/h9-11,13H,5-8H2,1-4H3;1H.
What are the key properties of N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride?
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 47002845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).