N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C17H32Cl2N6O2 — CID 119834433

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC(C)CN1CCOC(CNC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C17H30N6O2.2ClH/c1-13(2)10-22-7-8-25-15(11-22)9-19-17(24)16-12-23(21-20-16)14-3-5-18-6-4-14;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H
InChIKeyDQGYGOGUACZBRQ-UHFFFAOYSA-N
MW423.39 g/mol
LogP1.13
Rot. Bonds6

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119834433) has the molecular formula C17H32Cl2N6O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119834433
Molecular FormulaC17H32Cl2N6O2
Molecular Weight423.39 g/mol
Exact Mass422.20
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC(C)CN1CCOC(CNC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C17H30N6O2.2ClH/c1-13(2)10-22-7-8-25-15(11-22)9-19-17(24)16-12-23(21-20-16)14-3-5-18-6-4-14;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H
InChIKeyDQGYGOGUACZBRQ-UHFFFAOYSA-N
XLogP1.13
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119834433) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CC(C)CN1CCOC(CNC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is DQGYGOGUACZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2.2ClH/c1-13(2)10-22-7-8-25-15(11-22)9-19-17(24)16-12-23(21-20-16)14-3-5-18-6-4-14;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H.
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 423.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119834433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).