N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide

C18H25N3O3 — CID 36615288

IUPACN-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CCN2CCOC2=O)CC1
InChIInChI=1S/C18H25N3O3/c22-17(19-14-15-4-2-1-3-5-15)16-6-8-20(9-7-16)10-11-21-12-13-24-18(21)23/h1-5,16H,6-14H2,(H,19,22)
InChIKeyCTMRWAHMKKPKIA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.47
Rot. Bonds6

About N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide

N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 36615288) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID36615288
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CCN2CCOC2=O)CC1
InChIInChI=1S/C18H25N3O3/c22-17(19-14-15-4-2-1-3-5-15)16-6-8-20(9-7-16)10-11-21-12-13-24-18(21)23/h1-5,16H,6-14H2,(H,19,22)
InChIKeyCTMRWAHMKKPKIA-UHFFFAOYSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56811485
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 146136645
N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide
CID 86988954
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide (CID 36615288) is N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(CCN2CCOC2=O)CC1.
What is the InChIKey of N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CTMRWAHMKKPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(19-14-15-4-2-1-3-5-15)16-6-8-20(9-7-16)10-11-21-12-13-24-18(21)23/h1-5,16H,6-14H2,(H,19,22).
What are the key properties of N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 36615288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).