N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

C21H25N3O4 — CID 108924568

IUPACN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-6-5-16(12-19(18)28-2)21(26)24-10-7-15(8-11-24)13-23-20(25)17-4-3-9-22-14-17/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,23,25)
InChIKeyDJIVFUHSSJHNLU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.38
Rot. Bonds6

About N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924568) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924568
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-6-5-16(12-19(18)28-2)21(26)24-10-7-15(8-11-24)13-23-20(25)17-4-3-9-22-14-17/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,23,25)
InChIKeyDJIVFUHSSJHNLU-UHFFFAOYSA-N
XLogP2.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924568) is N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DJIVFUHSSJHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-6-5-16(12-19(18)28-2)21(26)24-10-7-15(8-11-24)13-23-20(25)17-4-3-9-22-14-17/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).