N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H29Cl2N5O — CID 119807677

IUPACN-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)C(C)c2ccc(Cl)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H28ClN5O.ClH/c1-13(16-5-7-17(21)8-6-16)14(2)25(4)20(27)19-15(3)26(24-23-19)18-9-11-22-12-10-18;/h5-8,13-14,18,22H,9-12H2,1-4H3;1H
InChIKeyMKNCQZBUDKEHTO-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119807677) has the molecular formula C20H29Cl2N5O and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119807677
Molecular FormulaC20H29Cl2N5O
Molecular Weight426.39 g/mol
Exact Mass425.17
IUPAC NameN-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)C(C)c2ccc(Cl)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H28ClN5O.ClH/c1-13(16-5-7-17(21)8-6-16)14(2)25(4)20(27)19-15(3)26(24-23-19)18-9-11-22-12-10-18;/h5-8,13-14,18,22H,9-12H2,1-4H3;1H
InChIKeyMKNCQZBUDKEHTO-UHFFFAOYSA-N
XLogP3.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
N-[1-(4-chlorophenyl)-3-methylbutyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119799876
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119689369
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119764333
5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119672592
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119892918
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119807677) is N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)N(C)C(C)C(C)c2ccc(Cl)cc2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is MKNCQZBUDKEHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O.ClH/c1-13(16-5-7-17(21)8-6-16)14(2)25(4)20(27)19-15(3)26(24-23-19)18-9-11-22-12-10-18;/h5-8,13-14,18,22H,9-12H2,1-4H3;1H.
What are the key properties of N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)butan-2-yl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119807677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).