N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide

C22H25ClN2O3 — CID 22322400

IUPACN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O3/c1-28-20-4-2-3-18(15-20)22(27)24-11-14-25-12-9-17(10-13-25)21(26)16-5-7-19(23)8-6-16/h2-8,15,17H,9-14H2,1H3,(H,24,27)
InChIKeyQFRDJFJAZKVTGT-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.67
Rot. Bonds7

About N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide (PubChem CID 22322400) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
PubChem CID22322400
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O3/c1-28-20-4-2-3-18(15-20)22(27)24-11-14-25-12-9-17(10-13-25)21(26)16-5-7-19(23)8-6-16/h2-8,15,17H,9-14H2,1H3,(H,24,27)
InChIKeyQFRDJFJAZKVTGT-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-4-nitrobenzamide
CID 22322246
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 44896851
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246723

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide (CID 22322400) is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide?
The InChIKey is QFRDJFJAZKVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-28-20-4-2-3-18(15-20)22(27)24-11-14-25-12-9-17(10-13-25)21(26)16-5-7-19(23)8-6-16/h2-8,15,17H,9-14H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide?
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide has a molecular weight of 400.91 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 22322400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).