N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide

C20H31N3O2 — CID 42542896

IUPACN-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)NCCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-4-16(5-7-17)8-11-22-19(24)14-23-12-9-18(10-13-23)20(25)21-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeySCLOUXDWODSDMF-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide

N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide (PubChem CID 42542896) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
PubChem CID42542896
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC(=O)NCCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-4-16(5-7-17)8-11-22-19(24)14-23-12-9-18(10-13-23)20(25)21-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeySCLOUXDWODSDMF-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
2-(3-anilinopyrrolidin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56500528
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 9131399
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 146132057
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8621771
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 45012835
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 35803946
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide (CID 42542896) is N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide is CNC(=O)C1CCN(CC(=O)NCCc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide?
The InChIKey is SCLOUXDWODSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)17-6-4-16(5-7-17)8-11-22-19(24)14-23-12-9-18(10-13-23)20(25)21-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide?
N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42542896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).