N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

C21H24ClN7O2 — CID 176940356

IUPACN-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(C2CCCCN2C(=O)Nc2ccc(Cl)c(-c3ncn(CC4CC4)n3)c2)o1
InChIInChI=1S/C21H24ClN7O2/c1-13-25-26-20(31-13)18-4-2-3-9-29(18)21(30)24-15-7-8-17(22)16(10-15)19-23-12-28(27-19)11-14-5-6-14/h7-8,10,12,14,18H,2-6,9,11H2,1H3,(H,24,30)
InChIKeyYMLPWWRGGGCHSD-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.46
Rot. Bonds5

About N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 176940356) has the molecular formula C21H24ClN7O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
PubChem CID176940356
Molecular FormulaC21H24ClN7O2
Molecular Weight441.92 g/mol
Exact Mass441.17
IUPAC NameN-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(C2CCCCN2C(=O)Nc2ccc(Cl)c(-c3ncn(CC4CC4)n3)c2)o1
InChIInChI=1S/C21H24ClN7O2/c1-13-25-26-20(31-13)18-4-2-3-9-29(18)21(30)24-15-7-8-17(22)16(10-15)19-23-12-28(27-19)11-14-5-6-14/h7-8,10,12,14,18H,2-6,9,11H2,1H3,(H,24,30)
InChIKeyYMLPWWRGGGCHSD-UHFFFAOYSA-N
XLogP4.46
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 176940271
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169175961
(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
CID 9188252
N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4-methyl-2-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 176940971
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 97074871
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
(2S)-N-(3,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7410850
(2R)-N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7262196
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
(1S,3R,5R)-N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-[(cyclopropylmethylamino)methyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941034

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (CID 176940356) is N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is Cc1nnc(C2CCCCN2C(=O)Nc2ccc(Cl)c(-c3ncn(CC4CC4)n3)c2)o1.
What is the InChIKey of N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is YMLPWWRGGGCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2/c1-13-25-26-20(31-13)18-4-2-3-9-29(18)21(30)24-15-7-8-17(22)16(10-15)19-23-12-28(27-19)11-14-5-6-14/h7-8,10,12,14,18H,2-6,9,11H2,1H3,(H,24,30).
What are the key properties of N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 176940356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).