N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24Cl2N6O2 — CID 119810301

IUPACN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-11-15(23-24-25(11)14-6-8-21-9-7-14)16(26)22-18(2,17(20)27)12-4-3-5-13(19)10-12;/h3-5,10,14,21H,6-9H2,1-2H3,(H2,20,27)(H,22,26);1H
InChIKeyAPFFJZJLFKIDGP-UHFFFAOYSA-N
MW427.34 g/mol
LogP1.72
Rot. Bonds5

About N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119810301) has the molecular formula C18H24Cl2N6O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119810301
Molecular FormulaC18H24Cl2N6O2
Molecular Weight427.34 g/mol
Exact Mass426.13
IUPAC NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-11-15(23-24-25(11)14-6-8-21-9-7-14)16(26)22-18(2,17(20)27)12-4-3-5-13(19)10-12;/h3-5,10,14,21H,6-9H2,1-2H3,(H2,20,27)(H,22,26);1H
InChIKeyAPFFJZJLFKIDGP-UHFFFAOYSA-N
XLogP1.72
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119810301) is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(C(N)=O)c2cccc(Cl)c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is APFFJZJLFKIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2.ClH/c1-11-15(23-24-25(11)14-6-8-21-9-7-14)16(26)22-18(2,17(20)27)12-4-3-5-13(19)10-12;/h3-5,10,14,21H,6-9H2,1-2H3,(H2,20,27)(H,22,26);1H.
What are the key properties of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 427.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119810301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).