N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C25H24Cl2N2O2 — CID 43924914

IUPACN-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24Cl2N2O2/c26-20-10-8-18(9-11-20)16-29-14-4-5-19(17-29)25(30)28-23-15-21(27)12-13-24(23)31-22-6-2-1-3-7-22/h1-3,6-13,15,19H,4-5,14,16-17H2,(H,28,30)
InChIKeyQEROVJACIVGLEM-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.64
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924914) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43924914
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H24Cl2N2O2/c26-20-10-8-18(9-11-20)16-29-14-4-5-19(17-29)25(30)28-23-15-21(27)12-13-24(23)31-22-6-2-1-3-7-22/h1-3,6-13,15,19H,4-5,14,16-17H2,(H,28,30)
InChIKeyQEROVJACIVGLEM-UHFFFAOYSA-N
XLogP6.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93486494
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-(5-chloro-2-phenoxyphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930469
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43919883
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43924914) is N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QEROVJACIVGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c26-20-10-8-18(9-11-20)16-29-14-4-5-19(17-29)25(30)28-23-15-21(27)12-13-24(23)31-22-6-2-1-3-7-22/h1-3,6-13,15,19H,4-5,14,16-17H2,(H,28,30).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).