1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide

C26H38N4O4 — CID 124991852

IUPAC1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C26H38N4O4/c27-26(33)21-9-14-28(15-10-21)18-24(31)30-13-5-4-8-23(30)20-11-16-29(17-12-20)25(32)19-34-22-6-2-1-3-7-22/h1-3,6-7,20-21,23H,4-5,8-19H2,(H2,27,33)/t23-/m0/s1
InChIKeyPMBOSQYYLZEYTG-QHCPKHFHSA-N
MW470.61 g/mol
LogP1.88
Rot. Bonds7

About 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide

1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 124991852) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
PubChem CID124991852
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C26H38N4O4/c27-26(33)21-9-14-28(15-10-21)18-24(31)30-13-5-4-8-23(30)20-11-16-29(17-12-20)25(32)19-34-22-6-2-1-3-7-22/h1-3,6-7,20-21,23H,4-5,8-19H2,(H2,27,33)/t23-/m0/s1
InChIKeyPMBOSQYYLZEYTG-QHCPKHFHSA-N
XLogP1.88
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9443378
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 125003841
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanethioamide
CID 63336504
2-phenoxy-1-[4-[(2R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-2-yl]piperidin-1-yl]ethanone
CID 124994913
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110252786
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide (CID 124991852) is 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)COc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is PMBOSQYYLZEYTG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H38N4O4/c27-26(33)21-9-14-28(15-10-21)18-24(31)30-13-5-4-8-23(30)20-11-16-29(17-12-20)25(32)19-34-22-6-2-1-3-7-22/h1-3,6-7,20-21,23H,4-5,8-19H2,(H2,27,33)/t23-/m0/s1.
What are the key properties of 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 124991852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).