N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide

C18H26N2O3 — CID 46943031

IUPACN-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-19-17(22)18(2)10-7-11-20(14-18)16(21)13-23-12-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,19,22)
InChIKeyLHOARGGQQKDZRL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds6

About N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide

N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide (PubChem CID 46943031) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
PubChem CID46943031
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-19-17(22)18(2)10-7-11-20(14-18)16(21)13-23-12-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,19,22)
InChIKeyLHOARGGQQKDZRL-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-6-phenyl-3-morpholinone
CID 21789
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 2998360
3-Methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester
CID 2999218
(2-oxo-2-piperidin-1-ylethyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7117545
N-cyclopropylsulfonyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
CID 46942438
3-methyl-1-(2-phenylmethoxyacetyl)-N-propylpyrrolidine-3-carboxamide
CID 49795125
Benzyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 68600823
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 16240858
3-(5-Oxo-2-p-tolyl-morpholin-4-yl)-propionamide
CID 25102504
(3S,6S)-3-[(benzyloxy)methyl]-6-isobutylpiperazine-2,5-dione
CID 44398495
N-[[1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45828781
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46449463

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide (CID 46943031) is N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide is CCNC(=O)C1(C)CCCN(C(=O)COCc2ccccc2)C1.
What is the InChIKey of N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
The InChIKey is LHOARGGQQKDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-19-17(22)18(2)10-7-11-20(14-18)16(21)13-23-12-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide?
N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46943031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).