2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C23H27N3O3 — CID 134036586

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1CN1CCCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H27N3O3/c1-17(26-20-11-5-6-12-21(20)29-23(26)28)22(27)24-15-18-9-3-4-10-19(18)16-25-13-7-2-8-14-25/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyAIOPOMCZGBORID-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.46
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 134036586) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID134036586
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1CN1CCCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H27N3O3/c1-17(26-20-11-5-6-12-21(20)29-23(26)28)22(27)24-15-18-9-3-4-10-19(18)16-25-13-7-2-8-14-25/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyAIOPOMCZGBORID-UHFFFAOYSA-N
XLogP3.46
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55710464
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181
N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 55947366
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18143050
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24613317

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 134036586) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccccc1CN1CCCCC1)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is AIOPOMCZGBORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(26-20-11-5-6-12-21(20)29-23(26)28)22(27)24-15-18-9-3-4-10-19(18)16-25-13-7-2-8-14-25/h3-6,9-12,17H,2,7-8,13-16H2,1H3,(H,24,27).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 134036586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).