3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide

C23H28Cl2N2O3 — CID 24504215

IUPAC3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C23H28Cl2N2O3/c1-15(2)30-22-20(25)12-17(13-21(22)29-3)23(28)26-19-8-10-27(11-9-19)14-16-4-6-18(24)7-5-16/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,26,28)
InChIKeyDKOTZPCEVGMEGG-UHFFFAOYSA-N
MW451.39 g/mol
LogP5.18
Rot. Bonds7

About 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide

3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide (PubChem CID 24504215) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
PubChem CID24504215
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC(C)C
InChIInChI=1S/C23H28Cl2N2O3/c1-15(2)30-22-20(25)12-17(13-21(22)29-3)23(28)26-19-8-10-27(11-9-19)14-16-4-6-18(24)7-5-16/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,26,28)
InChIKeyDKOTZPCEVGMEGG-UHFFFAOYSA-N
XLogP5.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide (CID 24504215) is 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC(C)C.
What is the InChIKey of 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is DKOTZPCEVGMEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-15(2)30-22-20(25)12-17(13-21(22)29-3)23(28)26-19-8-10-27(11-9-19)14-16-4-6-18(24)7-5-16/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide?
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 451.39 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24504215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).