N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride

C17H21ClN4O — CID 119327335

IUPACN-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccnc(-c2ccc(NC(=O)C3CCNCC3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-6-11-19-16(20-12)13-2-4-15(5-3-13)21-17(22)14-7-9-18-10-8-14;/h2-6,11,14,18H,7-10H2,1H3,(H,21,22);1H
InChIKeyAAQAXCWODBOKJP-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.81
Rot. Bonds3

About N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119327335) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119327335
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccnc(-c2ccc(NC(=O)C3CCNCC3)cc2)n1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-6-11-19-16(20-12)13-2-4-15(5-3-13)21-17(22)14-7-9-18-10-8-14;/h2-6,11,14,18H,7-10H2,1H3,(H,21,22);1H
InChIKeyAAQAXCWODBOKJP-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
CID 119340024
N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]piperidine-4-carboxamide
CID 167648390
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 102557297
1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 102557635
N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
CID 90128547
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]acetamide
CID 146103607
N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 100679366

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119327335) is N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is Cc1ccnc(-c2ccc(NC(=O)C3CCNCC3)cc2)n1.Cl.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AAQAXCWODBOKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c1-12-6-11-19-16(20-12)13-2-4-15(5-3-13)21-17(22)14-7-9-18-10-8-14;/h2-6,11,14,18H,7-10H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119327335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).