N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide

C19H28N2O2 — CID 94824651

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-21-12-4-5-16(14-21)13-20-19(23)11-10-18(22)17-8-6-15(2)7-9-17/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCJWVFTIPZDJUED-INIZCTEOSA-N
MW316.44 g/mol
LogP2.81
Rot. Bonds7

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 94824651) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID94824651
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-3-21-12-4-5-16(14-21)13-20-19(23)11-10-18(22)17-8-6-15(2)7-9-17/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyCJWVFTIPZDJUED-INIZCTEOSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
methyl 3-[[2-[3-[(butanoylamino)methyl]piperidin-1-yl]acetyl]amino]-4-methylbenzoate
CID 51133517
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406
3-(1,3-benzothiazol-2-yl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 94810927
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
3-[(1-ethylpiperidin-3-yl)methyl]-1,2-dimethyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289215
[3-[4-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927094

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide (CID 94824651) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide is CCN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is CJWVFTIPZDJUED-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-21-12-4-5-16(14-21)13-20-19(23)11-10-18(22)17-8-6-15(2)7-9-17/h6-9,16H,3-5,10-14H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 316.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 94824651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).