methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate

C18H26N2O3 — CID 95935159

IUPACmethyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
SMILESCC[C@H]1CN(C(=O)CCNC(=O)OC)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-14-13-20(17(21)9-11-19-18(22)23-2)12-10-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLHUOMLKVEGVTJZ-GOEBONIOSA-N
MW318.42 g/mol
LogP2.77
Rot. Bonds5

About methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate

methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 95935159) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID95935159
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
SMILESCC[C@H]1CN(C(=O)CCNC(=O)OC)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-14-13-20(17(21)9-11-19-18(22)23-2)12-10-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLHUOMLKVEGVTJZ-GOEBONIOSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate 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

1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
1-(3-ethyl-4-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 84585365
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate (CID 95935159) is methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate is CC[C@H]1CN(C(=O)CCNC(=O)OC)CC[C@H]1c1ccccc1.
What is the InChIKey of methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is LHUOMLKVEGVTJZ-GOEBONIOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-14-13-20(17(21)9-11-19-18(22)23-2)12-10-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate?
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 95935159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).