N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide

C25H31N3O3 — CID 45182249

IUPACN-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCCN(C(=O)CCN2CCCO2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H31N3O3/c29-24(13-16-28-15-5-17-31-28)27-14-4-6-20(19-27)18-26-25(30)23-11-9-22(10-12-23)21-7-2-1-3-8-21/h1-3,7-12,20H,4-6,13-19H2,(H,26,30)
InChIKeyNEFANAQPCRKNKL-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.35
Rot. Bonds7

About N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide

N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide (PubChem CID 45182249) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
PubChem CID45182249
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCCN(C(=O)CCN2CCCO2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H31N3O3/c29-24(13-16-28-15-5-17-31-28)27-14-4-6-20(19-27)18-26-25(30)23-11-9-22(10-12-23)21-7-2-1-3-8-21/h1-3,7-12,20H,4-6,13-19H2,(H,26,30)
InChIKeyNEFANAQPCRKNKL-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45224813
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
4-fluoro-N-[[(3R)-1-pent-4-enoylpiperidin-3-yl]methyl]benzamide
CID 25479373
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 26323586
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide (CID 45182249) is N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide is O=C(NCC1CCCN(C(=O)CCN2CCCO2)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The InChIKey is NEFANAQPCRKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(13-16-28-15-5-17-31-28)27-14-4-6-20(19-27)18-26-25(30)23-11-9-22(10-12-23)21-7-2-1-3-8-21/h1-3,7-12,20H,4-6,13-19H2,(H,26,30).
What are the key properties of N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide has a molecular weight of 421.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 45182249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).