[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C19H29N7O — CID 70746051

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC1CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)CC1
InChIInChI=1S/C19H29N7O/c1-14-21-8-11-25(14)12-15-6-9-24(10-7-15)19(27)18-13-26(23-22-18)17-4-2-16(20)3-5-17/h8,11,13,15-17H,2-7,9-10,12,20H2,1H3
InChIKeyBKFIQSHQHGBHNZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.78
Rot. Bonds4

About [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 70746051) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID70746051
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC1CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)CC1
InChIInChI=1S/C19H29N7O/c1-14-21-8-11-25(14)12-15-6-9-24(10-7-15)19(27)18-13-26(23-22-18)17-4-2-16(20)3-5-17/h8,11,13,15-17H,2-7,9-10,12,20H2,1H3
InChIKeyBKFIQSHQHGBHNZ-UHFFFAOYSA-N
XLogP1.78
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 70746051) is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1nccn1CC1CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BKFIQSHQHGBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-21-8-11-25(14)12-15-6-9-24(10-7-15)19(27)18-13-26(23-22-18)17-4-2-16(20)3-5-17/h8,11,13,15-17H,2-7,9-10,12,20H2,1H3.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 371.49 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70746051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).