3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide

C21H26N2O2 — CID 109032975

IUPAC3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-17-6-5-14-23(16-17)15-13-21(24)22-18-9-11-20(12-10-18)25-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyDVCLAMPJOHNBGP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.54
Rot. Bonds6

About 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide

3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 109032975) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID109032975
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-17-6-5-14-23(16-17)15-13-21(24)22-18-9-11-20(12-10-18)25-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyDVCLAMPJOHNBGP-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 109024615
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide (CID 109032975) is 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide is CC1CCCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is DVCLAMPJOHNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-6-5-14-23(16-17)15-13-21(24)22-18-9-11-20(12-10-18)25-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24).
What are the key properties of 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide?
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 109032975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).