N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide

C27H28ClFN2O3 — CID 42858157

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C27H28ClFN2O3/c1-33-25-12-11-24(17-26(25)34-2)31(27(32)20-5-9-22(29)10-6-20)23-13-15-30(16-14-23)18-19-3-7-21(28)8-4-19/h3-12,17,23H,13-16,18H2,1-2H3
InChIKeyGXYBXWHMZICVNO-UHFFFAOYSA-N
MW482.98 g/mol
LogP5.81
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide (PubChem CID 42858157) has the molecular formula C27H28ClFN2O3 and a molecular weight of 482.98 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
PubChem CID42858157
Molecular FormulaC27H28ClFN2O3
Molecular Weight482.98 g/mol
Exact Mass482.18
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C27H28ClFN2O3/c1-33-25-12-11-24(17-26(25)34-2)31(27(32)20-5-9-22(29)10-6-20)23-13-15-30(16-14-23)18-19-3-7-21(28)8-4-19/h3-12,17,23H,13-16,18H2,1-2H3
InChIKeyGXYBXWHMZICVNO-UHFFFAOYSA-N
XLogP5.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.98
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
3-chloro-N-(4-fluorophenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055084
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide (CID 42858157) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide is COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
The InChIKey is GXYBXWHMZICVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN2O3/c1-33-25-12-11-24(17-26(25)34-2)31(27(32)20-5-9-22(29)10-6-20)23-13-15-30(16-14-23)18-19-3-7-21(28)8-4-19/h3-12,17,23H,13-16,18H2,1-2H3.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide has a molecular weight of 482.98 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 42858157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).