1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

C20H21Cl2FN2O — CID 1343425

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H21Cl2FN2O/c21-17-5-2-1-4-15(17)12-24-20(26)14-8-10-25(11-9-14)13-16-18(22)6-3-7-19(16)23/h1-7,14H,8-13H2,(H,24,26)
InChIKeyDGCGKTWSXPPELA-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.66
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 1343425) has the molecular formula C20H21Cl2FN2O and a molecular weight of 395.31 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID1343425
Molecular FormulaC20H21Cl2FN2O
Molecular Weight395.31 g/mol
Exact Mass394.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C20H21Cl2FN2O/c21-17-5-2-1-4-15(17)12-24-20(26)14-8-10-25(11-9-14)13-16-18(22)6-3-7-19(16)23/h1-7,14H,8-13H2,(H,24,26)
InChIKeyDGCGKTWSXPPELA-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

F16357
CID 19323337
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
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(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
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(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
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(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
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1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
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N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
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(E)-N-benzyl-3-(2-chlorophenyl)prop-2-enamide
CID 5333112

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (CID 1343425) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DGCGKTWSXPPELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O/c21-17-5-2-1-4-15(17)12-24-20(26)14-8-10-25(11-9-14)13-16-18(22)6-3-7-19(16)23/h1-7,14H,8-13H2,(H,24,26).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).