(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide

C20H30N2O3 — CID 95278344

IUPAC(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCC(=O)N1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O3/c1-4-15(2)20(24)21-14-19(23)22-11-9-16(10-12-22)13-17-7-5-6-8-18(17)25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyLSXQTLOZCJCLJA-HNNXBMFYSA-N
MW346.47 g/mol
LogP2.64
Rot. Bonds7

About (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide

(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide (PubChem CID 95278344) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
PubChem CID95278344
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NCC(=O)N1CCC(Cc2ccccc2OC)CC1
InChIInChI=1S/C20H30N2O3/c1-4-15(2)20(24)21-14-19(23)22-11-9-16(10-12-22)13-17-7-5-6-8-18(17)25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyLSXQTLOZCJCLJA-HNNXBMFYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
2-(2-ethoxyethoxy)-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one
CID 51107993
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
1-(4-benzylpiperidin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000628
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111749859
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119769107
1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 134813320
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide (CID 95278344) is (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide is CC[C@H](C)C(=O)NCC(=O)N1CCC(Cc2ccccc2OC)CC1.
What is the InChIKey of (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is LSXQTLOZCJCLJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-15(2)20(24)21-14-19(23)22-11-9-16(10-12-22)13-17-7-5-6-8-18(17)25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide?
(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 346.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 95278344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).