[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

C18H24N6O — CID 46983296

IUPAC[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cn3cc(C4CC4)nn3)C2)nc(C)n1
InChIInChI=1S/C18H24N6O/c1-12-8-16(20-13(2)19-12)18(25)23-7-3-4-14(9-23)10-24-11-17(21-22-24)15-5-6-15/h8,11,14-15H,3-7,9-10H2,1-2H3
InChIKeyZBSCMPNHRHLERM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.11
Rot. Bonds4

About [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (PubChem CID 46983296) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
PubChem CID46983296
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cn3cc(C4CC4)nn3)C2)nc(C)n1
InChIInChI=1S/C18H24N6O/c1-12-8-16(20-13(2)19-12)18(25)23-7-3-4-14(9-23)10-24-11-17(21-22-24)15-5-6-15/h8,11,14-15H,3-7,9-10H2,1-2H3
InChIKeyZBSCMPNHRHLERM-UHFFFAOYSA-N
XLogP2.11
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
CID 50983198
1-Ethyl-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040843
1-(Propan-2-YL)-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040893
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(piperidino)methanone
CID 53040897
N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56705053
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-isobutyl-1H-1,2,3-triazole-4-carboxamide
CID 56722083
N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56723590
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
(2-Methylpyrimidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143539
N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604117
N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604118

Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The IUPAC name of [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (CID 46983296) is [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.
What is the SMILES notation for [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The canonical SMILES for [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCCC(Cn3cc(C4CC4)nn3)C2)nc(C)n1.
What is the InChIKey of [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The InChIKey is ZBSCMPNHRHLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-8-16(20-13(2)19-12)18(25)23-7-3-4-14(9-23)10-24-11-17(21-22-24)15-5-6-15/h8,11,14-15H,3-7,9-10H2,1-2H3.
What are the key properties of [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
[3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is sourced from PubChem (CID 46983296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).