1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one

C13H23N5O — CID 156840380

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2ncnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-16(2)11-6-8-18(9-7-11)13(19)5-4-12-14-10-15-17(12)3/h10-11H,4-9H2,1-3H3
InChIKeyRNHRBWKEFCXWHC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.30
Rot. Bonds4

About 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one (PubChem CID 156840380) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
PubChem CID156840380
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2ncnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-16(2)11-6-8-18(9-7-11)13(19)5-4-12-14-10-15-17(12)3/h10-11H,4-9H2,1-3H3
InChIKeyRNHRBWKEFCXWHC-UHFFFAOYSA-N
XLogP0.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 45803389
3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53577472
1-[3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53616637
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72142813
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
Cyclobutyl-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 110875668
1-[2-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]azepan-2-one
CID 72837808
3-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylpropanamide
CID 72921462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one (CID 156840380) is 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one is CN(C)C1CCN(C(=O)CCc2ncnn2C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The InChIKey is RNHRBWKEFCXWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-16(2)11-6-8-18(9-7-11)13(19)5-4-12-14-10-15-17(12)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one is sourced from PubChem (CID 156840380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).