3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide

C26H27ClN2O2 — CID 134796408

IUPAC3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCOc1cccc(-c2ccc(CN3CCCC(NC(=O)c4cccc(Cl)c4)C3)cc2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-9-3-5-21(16-25)20-12-10-19(11-13-20)17-29-14-4-8-24(18-29)28-26(30)22-6-2-7-23(27)15-22/h2-3,5-7,9-13,15-16,24H,4,8,14,17-18H2,1H3,(H,28,30)
InChIKeyVSLJXZAJPJMVPW-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.41
Rot. Bonds6

About 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide

3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide (PubChem CID 134796408) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide
PubChem CID134796408
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide
SMILESCOc1cccc(-c2ccc(CN3CCCC(NC(=O)c4cccc(Cl)c4)C3)cc2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-9-3-5-21(16-25)20-12-10-19(11-13-20)17-29-14-4-8-24(18-29)28-26(30)22-6-2-7-23(27)15-22/h2-3,5-7,9-13,15-16,24H,4,8,14,17-18H2,1H3,(H,28,30)
InChIKeyVSLJXZAJPJMVPW-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44307198
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CID 1361220
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CID 9799726
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CID 9936247
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CID 10253182
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CID 10433825
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CID 10573581

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide (CID 134796408) is 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide is COc1cccc(-c2ccc(CN3CCCC(NC(=O)c4cccc(Cl)c4)C3)cc2)c1.
What is the InChIKey of 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
The InChIKey is VSLJXZAJPJMVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-31-25-9-3-5-21(16-25)20-12-10-19(11-13-20)17-29-14-4-8-24(18-29)28-26(30)22-6-2-7-23(27)15-22/h2-3,5-7,9-13,15-16,24H,4,8,14,17-18H2,1H3,(H,28,30).
What are the key properties of 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide?
3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 134796408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).