N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide

C19H28N2O5 — CID 100734340

IUPACN-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide
SMILESCOc1cc(CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc(OC)c1O
InChIInChI=1S/C19H28N2O5/c1-12(2)19(24)20-14-6-5-7-21(11-14)17(22)10-13-8-15(25-3)18(23)16(9-13)26-4/h8-9,12,14,23H,5-7,10-11H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyUZGBWCCWZCAGJX-AWEZNQCLSA-N
MW364.44 g/mol
LogP1.72
Rot. Bonds6

About N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide

N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 100734340) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID100734340
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide
SMILESCOc1cc(CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc(OC)c1O
InChIInChI=1S/C19H28N2O5/c1-12(2)19(24)20-14-6-5-7-21(11-14)17(22)10-13-8-15(25-3)18(23)16(9-13)26-4/h8-9,12,14,23H,5-7,10-11H2,1-4H3,(H,20,24)/t14-/m0/s1
InChIKeyUZGBWCCWZCAGJX-AWEZNQCLSA-N
XLogP1.72
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 119594342
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119397988
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide (CID 100734340) is N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide is COc1cc(CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc(OC)c1O.
What is the InChIKey of N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is UZGBWCCWZCAGJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12(2)19(24)20-14-6-5-7-21(11-14)17(22)10-13-8-15(25-3)18(23)16(9-13)26-4/h8-9,12,14,23H,5-7,10-11H2,1-4H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 364.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 100734340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).