N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide

C19H25ClN4O4S — CID 55555696

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C19H25ClN4O4S/c1-3-10-23(19(25)14-7-6-11-24(12-14)29(2,26)27)13-17-21-22-18(28-17)15-8-4-5-9-16(15)20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyXJSUADUAURQQDH-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.80
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide (PubChem CID 55555696) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
PubChem CID55555696
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C19H25ClN4O4S/c1-3-10-23(19(25)14-7-6-11-24(12-14)29(2,26)27)13-17-21-22-18(28-17)15-8-4-5-9-16(15)20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyXJSUADUAURQQDH-UHFFFAOYSA-N
XLogP2.80
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 55394988
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55361290
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 50945068
(3S)-1-[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544669
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
(3R)-1-(4-chlorobenzoyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 41138735
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(2-oxopiperidin-1-yl)-N-propylbenzamide
CID 55429486
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 40985102
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(dimethylsulfamoyl)-N-propylbenzamide
CID 55361291
(3R)-N-benzyl-N-(cyanomethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 94537667

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide (CID 55555696) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide?
The InChIKey is XJSUADUAURQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c1-3-10-23(19(25)14-7-6-11-24(12-14)29(2,26)27)13-17-21-22-18(28-17)15-8-4-5-9-16(15)20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide has a molecular weight of 440.95 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 55555696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).