N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119283628

IUPACN-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-16(22)13-5-4-6-14(11-13)19-15(21)12-7-9-18-10-8-12;/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyNERHYCWBKCJDCZ-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.57
Rot. Bonds3

About N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119283628) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119283628
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-16(22)13-5-4-6-14(11-13)19-15(21)12-7-9-18-10-8-12;/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyNERHYCWBKCJDCZ-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
N-tert-butyl-3-(cyclohexanecarbonylcarbamothioylamino)benzamide
CID 28639674
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119283628) is N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is CC(C)(C)NC(=O)c1cccc(NC(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is NERHYCWBKCJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-16(22)13-5-4-6-14(11-13)19-15(21)12-7-9-18-10-8-12;/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119283628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).