3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

C21H25N3O3 — CID 108924693

IUPAC3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(10-14-27-19-6-2-1-3-7-19)23-15-17-8-12-24(13-9-17)21(26)18-5-4-11-22-16-18/h1-7,11,16-17H,8-10,12-15H2,(H,23,25)
InChIKeyHOOUFYBMNRIXCB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.52
Rot. Bonds7

About 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108924693) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID108924693
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(10-14-27-19-6-2-1-3-7-19)23-15-17-8-12-24(13-9-17)21(26)18-5-4-11-22-16-18/h1-7,11,16-17H,8-10,12-15H2,(H,23,25)
InChIKeyHOOUFYBMNRIXCB-UHFFFAOYSA-N
XLogP2.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
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-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (CID 108924693) is 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is O=C(CCOc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is HOOUFYBMNRIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(10-14-27-19-6-2-1-3-7-19)23-15-17-8-12-24(13-9-17)21(26)18-5-4-11-22-16-18/h1-7,11,16-17H,8-10,12-15H2,(H,23,25).
What are the key properties of 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108924693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).