2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline

C22H29N3 — CID 29157830

IUPAC2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H29N3/c1-15-8-10-18(11-9-15)21-19-6-4-5-7-20(19)23-22(24-21)25-13-16(2)12-17(3)14-25/h8-11,16-17H,4-7,12-14H2,1-3H3/t16-,17-/m1/s1
InChIKeyGKDSUAQWUPLPCC-IAGOWNOFSA-N
MW335.50 g/mol
LogP4.81
Rot. Bonds2

About 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline

2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 29157830) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID29157830
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H29N3/c1-15-8-10-18(11-9-15)21-19-6-4-5-7-20(19)23-22(24-21)25-13-16(2)12-17(3)14-25/h8-11,16-17H,4-7,12-14H2,1-3H3/t16-,17-/m1/s1
InChIKeyGKDSUAQWUPLPCC-IAGOWNOFSA-N
XLogP4.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline (CID 29157830) is 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline is Cc1ccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2CCCC3)cc1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GKDSUAQWUPLPCC-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H29N3/c1-15-8-10-18(11-9-15)21-19-6-4-5-7-20(19)23-22(24-21)25-13-16(2)12-17(3)14-25/h8-11,16-17H,4-7,12-14H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline?
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 335.50 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 29157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).