[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride

C15H28Cl2N6O — CID 119874479

IUPAC[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C15H26N6O.2ClH/c1-19(2)13-4-3-9-20(10-13)15(22)14-11-21(18-17-14)12-5-7-16-8-6-12;;/h11-13,16H,3-10H2,1-2H3;2*1H
InChIKeyQAZSVBXLUVRYOX-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.21
Rot. Bonds3

About [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride

[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride (PubChem CID 119874479) has the molecular formula C15H28Cl2N6O and a molecular weight of 379.34 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
PubChem CID119874479
Molecular FormulaC15H28Cl2N6O
Molecular Weight379.34 g/mol
Exact Mass378.17
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C15H26N6O.2ClH/c1-19(2)13-4-3-9-20(10-13)15(22)14-11-21(18-17-14)12-5-7-16-8-6-12;;/h11-13,16H,3-10H2,1-2H3;2*1H
InChIKeyQAZSVBXLUVRYOX-UHFFFAOYSA-N
XLogP1.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
[3-(2-methylpropoxy)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119821796
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride (CID 119874479) is [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride is CN(C)C1CCCN(C(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The InChIKey is QAZSVBXLUVRYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O.2ClH/c1-19(2)13-4-3-9-20(10-13)15(22)14-11-21(18-17-14)12-5-7-16-8-6-12;;/h11-13,16H,3-10H2,1-2H3;2*1H.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride has a molecular weight of 379.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119874479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).