cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H33N5O — CID 70719299

IUPACcyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-4-24-17(14-22(2)3)20-21-18(24)15-10-12-23(13-11-15)19(25)16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3
InChIKeyHNVNMVDIAUDVJO-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.65
Rot. Bonds5

About cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70719299) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70719299
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Namecyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-4-24-17(14-22(2)3)20-21-18(24)15-10-12-23(13-11-15)19(25)16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3
InChIKeyHNVNMVDIAUDVJO-UHFFFAOYSA-N
XLogP2.65
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70719299) is cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCn1c(CN(C)C)nnc1C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is HNVNMVDIAUDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-24-17(14-22(2)3)20-21-18(24)15-10-12-23(13-11-15)19(25)16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3.
What are the key properties of cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 347.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70719299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).