N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide

C16H24N2O2 — CID 95209551

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
SMILESCN1CCC[C@H](CNC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-5-6-14(13-18)12-17-16(19)9-11-20-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJLBIEBJTKJKYST-CQSZACIVSA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds6

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide (PubChem CID 95209551) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
PubChem CID95209551
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
SMILESCN1CCC[C@H](CNC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-5-6-14(13-18)12-17-16(19)9-11-20-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJLBIEBJTKJKYST-CQSZACIVSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
CID 95979549
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067
2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide (CID 95209551) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide is CN1CCC[C@H](CNC(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide?
The InChIKey is JLBIEBJTKJKYST-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-10-5-6-14(13-18)12-17-16(19)9-11-20-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 95209551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).