N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H25Cl2N5O — CID 119689368

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24ClN5O.ClH/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14;/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26);1H
InChIKeyFCELTZSXDBDROY-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.47
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119689368) has the molecular formula C19H25Cl2N5O and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119689368
Molecular FormulaC19H25Cl2N5O
Molecular Weight410.35 g/mol
Exact Mass409.14
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24ClN5O.ClH/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14;/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26);1H
InChIKeyFCELTZSXDBDROY-UHFFFAOYSA-N
XLogP3.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119689368) is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(c2ccc(Cl)cc2)C2CC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FCELTZSXDBDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O.ClH/c1-12-17(23-24-25(12)16-8-10-21-11-9-16)19(26)22-18(13-2-3-13)14-4-6-15(20)7-5-14;/h4-7,13,16,18,21H,2-3,8-11H2,1H3,(H,22,26);1H.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119689368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).