N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide

C21H22N4O — CID 110437338

IUPACN-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ncnc4ccccc34)CC2)c1
InChIInChI=1S/C21H22N4O/c1-15-5-4-6-17(13-15)24-21(26)16-9-11-25(12-10-16)20-18-7-2-3-8-19(18)22-14-23-20/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)
InChIKeyKPDAJBGNUDXGTD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.79
Rot. Bonds3

About N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide

N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide (PubChem CID 110437338) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
PubChem CID110437338
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ncnc4ccccc34)CC2)c1
InChIInChI=1S/C21H22N4O/c1-15-5-4-6-17(13-15)24-21(26)16-9-11-25(12-10-16)20-18-7-2-3-8-19(18)22-14-23-20/h2-8,13-14,16H,9-12H2,1H3,(H,24,26)
InChIKeyKPDAJBGNUDXGTD-UHFFFAOYSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46364219
1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87021145
N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110436378
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 53146288
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 87021026
N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 177461135

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide (CID 110437338) is N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3ncnc4ccccc34)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The InChIKey is KPDAJBGNUDXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-5-4-6-17(13-15)24-21(26)16-9-11-25(12-10-16)20-18-7-2-3-8-19(18)22-14-23-20/h2-8,13-14,16H,9-12H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110437338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).