N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

C21H25N3O4 — CID 108924591

IUPACN-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-18-10-17(11-19(12-18)28-2)21(26)24-8-5-15(6-9-24)13-23-20(25)16-4-3-7-22-14-16/h3-4,7,10-12,14-15H,5-6,8-9,13H2,1-2H3,(H,23,25)
InChIKeyUCIVHUINMUJJPC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.38
Rot. Bonds6

About N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924591) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924591
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-27-18-10-17(11-19(12-18)28-2)21(26)24-8-5-15(6-9-24)13-23-20(25)16-4-3-7-22-14-16/h3-4,7,10-12,14-15H,5-6,8-9,13H2,1-2H3,(H,23,25)
InChIKeyUCIVHUINMUJJPC-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-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927052
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
(E)-3-(3-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924817
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
N-[[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924721

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924591) is N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is UCIVHUINMUJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-10-17(11-19(12-18)28-2)21(26)24-8-5-15(6-9-24)13-23-20(25)16-4-3-7-22-14-16/h3-4,7,10-12,14-15H,5-6,8-9,13H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-(3,5-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-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).