N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide

C16H18Cl2N4O2 — CID 43074702

IUPACN-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
SMILESCc1noc(CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O2/c1-10-19-15(24-21-10)9-22-7-3-2-4-14(22)16(23)20-11-5-6-12(17)13(18)8-11/h5-6,8,14H,2-4,7,9H2,1H3,(H,20,23)
InChIKeyYQYXNGFDFHWNMG-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.68
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide (PubChem CID 43074702) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
PubChem CID43074702
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC NameN-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
SMILESCc1noc(CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O2/c1-10-19-15(24-21-10)9-22-7-3-2-4-14(22)16(23)20-11-5-6-12(17)13(18)8-11/h5-6,8,14H,2-4,7,9H2,1H3,(H,20,23)
InChIKeyYQYXNGFDFHWNMG-UHFFFAOYSA-N
XLogP3.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 55628124
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
N-(3,5-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957925
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide (CID 43074702) is N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide is Cc1noc(CN2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide?
The InChIKey is YQYXNGFDFHWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-10-19-15(24-21-10)9-22-7-3-2-4-14(22)16(23)20-11-5-6-12(17)13(18)8-11/h5-6,8,14H,2-4,7,9H2,1H3,(H,20,23).
What are the key properties of N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 43074702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).