N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

C19H28N2O3 — CID 95151002

IUPACN-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCCOc1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1
InChIInChI=1S/C19H28N2O3/c1-4-24-17-9-5-8-16(11-17)19(23)21-10-6-7-15(13-21)12-20-18(22)14(2)3/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyCUJUZWMFYVVEOJ-HNNXBMFYSA-N
MW332.44 g/mol
LogP2.71
Rot. Bonds6

About N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95151002) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID95151002
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCCOc1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1
InChIInChI=1S/C19H28N2O3/c1-4-24-17-9-5-8-16(11-17)19(23)21-10-6-7-15(13-21)12-20-18(22)14(2)3/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyCUJUZWMFYVVEOJ-HNNXBMFYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 131936767
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 95151002) is N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is CCOc1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1.
What is the InChIKey of N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is CUJUZWMFYVVEOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-17-9-5-8-16(11-17)19(23)21-10-6-7-15(13-21)12-20-18(22)14(2)3/h5,8-9,11,14-15H,4,6-7,10,12-13H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 332.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).