N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide

C22H35N3O2 — CID 24790628

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCCO3)C2)cc1
InChIInChI=1S/C22H35N3O2/c1-18(2)15-19-6-8-20(9-7-19)16-24-11-3-5-21(17-24)23-22(26)10-13-25-12-4-14-27-25/h6-9,18,21H,3-5,10-17H2,1-2H3,(H,23,26)
InChIKeyQEQICQUZFMQMII-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.99
Rot. Bonds8

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide (PubChem CID 24790628) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
PubChem CID24790628
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCCO3)C2)cc1
InChIInChI=1S/C22H35N3O2/c1-18(2)15-19-6-8-20(9-7-19)16-24-11-3-5-21(17-24)23-22(26)10-13-25-12-4-14-27-25/h6-9,18,21H,3-5,10-17H2,1-2H3,(H,23,26)
InChIKeyQEQICQUZFMQMII-UHFFFAOYSA-N
XLogP2.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide (CID 24790628) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)CCN3CCCO3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The InChIKey is QEQICQUZFMQMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18(2)15-19-6-8-20(9-7-19)16-24-11-3-5-21(17-24)23-22(26)10-13-25-12-4-14-27-25/h6-9,18,21H,3-5,10-17H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide is sourced from PubChem (CID 24790628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).