N-tert-butylpiperidine-3-carboxamide;hydrochloride

C10H21ClN2O — CID 56832046

IUPACN-tert-butylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)12-9(13)8-5-4-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyWPQKVBHVXRAXOO-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.32
Rot. Bonds1

About N-tert-butylpiperidine-3-carboxamide;hydrochloride

N-tert-butylpiperidine-3-carboxamide;hydrochloride (PubChem CID 56832046) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is N-tert-butylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butylpiperidine-3-carboxamide;hydrochloride
PubChem CID56832046
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC NameN-tert-butylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)12-9(13)8-5-4-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyWPQKVBHVXRAXOO-UHFFFAOYSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119317958
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
N-tert-butylcyclooctanecarboxamide
CID 65022804

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-tert-butylpiperidine-3-carboxamide;hydrochloride (CID 56832046) is N-tert-butylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-tert-butylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-tert-butylpiperidine-3-carboxamide;hydrochloride is CC(C)(C)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-tert-butylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is WPQKVBHVXRAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-10(2,3)12-9(13)8-5-4-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H.
What are the key properties of N-tert-butylpiperidine-3-carboxamide;hydrochloride?
N-tert-butylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 56832046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).