methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate

C21H32N2O3 — CID 52805498

IUPACmethyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1
InChIInChI=1S/C21H32N2O3/c1-15(2)12-19(22-21(25)26-4)20(24)23-11-5-6-18(14-23)13-17-9-7-16(3)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyMDYFKKPBYSSYBL-RBUKOAKNSA-N
MW360.50 g/mol
LogP3.55
Rot. Bonds6

About methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate

methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate (PubChem CID 52805498) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
PubChem CID52805498
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Namemethyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1
InChIInChI=1S/C21H32N2O3/c1-15(2)12-19(22-21(25)26-4)20(24)23-11-5-6-18(14-23)13-17-9-7-16(3)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyMDYFKKPBYSSYBL-RBUKOAKNSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidin-3-yl]ethyl 4-methylbenzenesulfonate
CID 89107150
(3S)-N-cyclopropyl-3-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 94384032
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 49409732
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
benzyl N-[(2S)-4-methyl-1-[[(3S)-1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methylamino]-1-oxopentan-2-yl]carbamate
CID 90675600
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
methyl N-[1-[4-(4-ethoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 71911905
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 47735927

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate (CID 52805498) is methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate is COC(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1.
What is the InChIKey of methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The InChIKey is MDYFKKPBYSSYBL-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15(2)12-19(22-21(25)26-4)20(24)23-11-5-6-18(14-23)13-17-9-7-16(3)8-10-17/h7-10,15,18-19H,5-6,11-14H2,1-4H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-4-methyl-1-[(3S)-3-[(4-methylphenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 52805498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).