1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride

C16H22ClN5O — CID 52995764

IUPAC1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCN(C)c1nc(N2CCC(C(N)=O)CC2)nc2ccccc12.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-20(2)15-12-5-3-4-6-13(12)18-16(19-15)21-9-7-11(8-10-21)14(17)22;/h3-6,11H,7-10H2,1-2H3,(H2,17,22);1H
InChIKeyZYLPCKTVQFJQGH-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride

1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 52995764) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID52995764
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCN(C)c1nc(N2CCC(C(N)=O)CC2)nc2ccccc12.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-20(2)15-12-5-3-4-6-13(12)18-16(19-15)21-9-7-11(8-10-21)14(17)22;/h3-6,11H,7-10H2,1-2H3,(H2,17,22);1H
InChIKeyZYLPCKTVQFJQGH-UHFFFAOYSA-N
XLogP1.82
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride (CID 52995764) is 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride is CN(C)c1nc(N2CCC(C(N)=O)CC2)nc2ccccc12.Cl.
What is the InChIKey of 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZYLPCKTVQFJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-20(2)15-12-5-3-4-6-13(12)18-16(19-15)21-9-7-11(8-10-21)14(17)22;/h3-6,11H,7-10H2,1-2H3,(H2,17,22);1H.
What are the key properties of 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride?
1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 52995764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).