2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide

C21H25N3O3 — CID 90521364

IUPAC2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-8-4-3-7-18(19)20(25)23-14-16-9-12-24(13-10-16)21(26)17-6-5-11-22-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,23,25)
InChIKeyGOJKCEZFFNNJPE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.76
Rot. Bonds6

About 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide

2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 90521364) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID90521364
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-8-4-3-7-18(19)20(25)23-14-16-9-12-24(13-10-16)21(26)17-6-5-11-22-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,23,25)
InChIKeyGOJKCEZFFNNJPE-UHFFFAOYSA-N
XLogP2.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide (CID 90521364) is 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide is CCOc1ccccc1C(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is GOJKCEZFFNNJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-19-8-4-3-7-18(19)20(25)23-14-16-9-12-24(13-10-16)21(26)17-6-5-11-22-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide?
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 90521364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).