4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide

C24H31N3O5 — CID 108557899

IUPAC4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-26(2)19-8-6-16(7-9-19)23(28)25-18-10-12-27(13-11-18)24(29)17-14-20(30-3)22(32-5)21(15-17)31-4/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,28)
InChIKeyOBBNXIXPMNLJNO-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.81
Rot. Bonds7

About 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide

4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 108557899) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID108557899
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-26(2)19-8-6-16(7-9-19)23(28)25-18-10-12-27(13-11-18)24(29)17-14-20(30-3)22(32-5)21(15-17)31-4/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,28)
InChIKeyOBBNXIXPMNLJNO-UHFFFAOYSA-N
XLogP2.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide (CID 108557899) is 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide is COc1cc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is OBBNXIXPMNLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-26(2)19-8-6-16(7-9-19)23(28)25-18-10-12-27(13-11-18)24(29)17-14-20(30-3)22(32-5)21(15-17)31-4/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,28).
What are the key properties of 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide?
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108557899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).