N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine

C21H32N6O — CID 129252282

IUPACN-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine
SMILESCOC1CN(c2ncc(C)cc2-c2cn(C)nn2)CCC1NC1CCCCC1
InChIInChI=1S/C21H32N6O/c1-15-11-17(19-13-26(2)25-24-19)21(22-12-15)27-10-9-18(20(14-27)28-3)23-16-7-5-4-6-8-16/h11-13,16,18,20,23H,4-10,14H2,1-3H3
InChIKeyOXXQSAHCHXEDFJ-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.70
Rot. Bonds5

About N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine

N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 129252282) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID129252282
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine
SMILESCOC1CN(c2ncc(C)cc2-c2cn(C)nn2)CCC1NC1CCCCC1
InChIInChI=1S/C21H32N6O/c1-15-11-17(19-13-26(2)25-24-19)21(22-12-15)27-10-9-18(20(14-27)28-3)23-16-7-5-4-6-8-16/h11-13,16,18,20,23H,4-10,14H2,1-3H3
InChIKeyOXXQSAHCHXEDFJ-UHFFFAOYSA-N
XLogP2.70
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine (CID 129252282) is N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine is COC1CN(c2ncc(C)cc2-c2cn(C)nn2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is OXXQSAHCHXEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-15-11-17(19-13-26(2)25-24-19)21(22-12-15)27-10-9-18(20(14-27)28-3)23-16-7-5-4-6-8-16/h11-13,16,18,20,23H,4-10,14H2,1-3H3.
What are the key properties of N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine?
N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methoxy-1-[5-methyl-3-(1-methyltriazol-4-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 129252282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).