N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H30ClN5O2 — CID 119815206

IUPACN-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-14(2)13-27-18-6-4-16(5-7-18)15(3)22-20(26)19-12-25(24-23-19)17-8-10-21-11-9-17;/h4-7,12,14-15,17,21H,8-11,13H2,1-3H3,(H,22,26);1H
InChIKeyOHAPOZYLHYWGKA-UHFFFAOYSA-N
MW407.95 g/mol
LogP3.15
Rot. Bonds7

About N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119815206) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119815206
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC NameN-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-14(2)13-27-18-6-4-16(5-7-18)15(3)22-20(26)19-12-25(24-23-19)17-8-10-21-11-9-17;/h4-7,12,14-15,17,21H,8-11,13H2,1-3H3,(H,22,26);1H
InChIKeyOHAPOZYLHYWGKA-UHFFFAOYSA-N
XLogP3.15
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119792678

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119815206) is N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)COc1ccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is OHAPOZYLHYWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.ClH/c1-14(2)13-27-18-6-4-16(5-7-18)15(3)22-20(26)19-12-25(24-23-19)17-8-10-21-11-9-17;/h4-7,12,14-15,17,21H,8-11,13H2,1-3H3,(H,22,26);1H.
What are the key properties of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 407.95 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119815206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).