N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride

C14H23ClN4O — CID 119305621

IUPACN-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)c1ncc(NC(=O)C2CCNCC2)cn1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-14(2,3)13-16-8-11(9-17-13)18-12(19)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3,(H,18,19);1H
InChIKeyHDKCHMXDEYTZLB-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.13
Rot. Bonds2

About N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride

N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119305621) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119305621
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)c1ncc(NC(=O)C2CCNCC2)cn1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-14(2,3)13-16-8-11(9-17-13)18-12(19)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3,(H,18,19);1H
InChIKeyHDKCHMXDEYTZLB-UHFFFAOYSA-N
XLogP2.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-(2-tert-butylpyrimidin-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119752785
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride (CID 119305621) is N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride is CC(C)(C)c1ncc(NC(=O)C2CCNCC2)cn1.Cl.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is HDKCHMXDEYTZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-14(2,3)13-16-8-11(9-17-13)18-12(19)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119305621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).