(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide

C25H24Cl2N4O3 — CID 40985102

IUPAC(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)C1
InChIInChI=1S/C25H24Cl2N4O3/c26-18-9-7-16(8-10-18)24(32)30-13-3-4-17(14-30)25(33)31(19-11-12-19)15-22-28-29-23(34-22)20-5-1-2-6-21(20)27/h1-2,5-10,17,19H,3-4,11-15H2/t17-/m1/s1
InChIKeyZGKFPQQSDLRKCF-QGZVFWFLSA-N
MW499.40 g/mol
LogP5.09
Rot. Bonds6

About (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 40985102) has the molecular formula C25H24Cl2N4O3 and a molecular weight of 499.40 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID40985102
Molecular FormulaC25H24Cl2N4O3
Molecular Weight499.40 g/mol
Exact Mass498.12
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)C1
InChIInChI=1S/C25H24Cl2N4O3/c26-18-9-7-16(8-10-18)24(32)30-13-3-4-17(14-30)25(33)31(19-11-12-19)15-22-28-29-23(34-22)20-5-1-2-6-21(20)27/h1-2,5-10,17,19H,3-4,11-15H2/t17-/m1/s1
InChIKeyZGKFPQQSDLRKCF-QGZVFWFLSA-N
XLogP5.09
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
(3R)-1-(4-chlorobenzoyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 41138735
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(2-methylmorpholin-4-yl)acetamide
CID 42929033
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
CID 55555696
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
1-(4-chlorobenzoyl)-N-(2-cyanoethyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 56534830

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 40985102) is (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)C1.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is ZGKFPQQSDLRKCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24Cl2N4O3/c26-18-9-7-16(8-10-18)24(32)30-13-3-4-17(14-30)25(33)31(19-11-12-19)15-22-28-29-23(34-22)20-5-1-2-6-21(20)27/h1-2,5-10,17,19H,3-4,11-15H2/t17-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 499.40 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 40985102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).