N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide

C20H23ClN2O2 — CID 8589988

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-4-2-3-16(13-19)20(24)22-18-9-11-23(12-10-18)14-15-5-7-17(21)8-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)
InChIKeyGKGLWELCCJFXMI-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.74
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 8589988) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID8589988
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-4-2-3-16(13-19)20(24)22-18-9-11-23(12-10-18)14-15-5-7-17(21)8-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)
InChIKeyGKGLWELCCJFXMI-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide (CID 8589988) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is GKGLWELCCJFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-19-4-2-3-16(13-19)20(24)22-18-9-11-23(12-10-18)14-15-5-7-17(21)8-6-15/h2-8,13,18H,9-12,14H2,1H3,(H,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 358.87 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 8589988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).