N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

C20H20ClN3O3 — CID 25259860

IUPACN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCC1CCN(c2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C20H20ClN3O3/c21-15-2-4-16(5-3-15)24-9-7-13(8-10-24)12-22-19(25)14-1-6-17-18(11-14)27-20(26)23-17/h1-6,11,13H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyPOKBSOWFFBKLDW-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.42
Rot. Bonds4

About N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide

N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (PubChem CID 25259860) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
PubChem CID25259860
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCC1CCN(c2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C20H20ClN3O3/c21-15-2-4-16(5-3-15)24-9-7-13(8-10-24)12-22-19(25)14-1-6-17-18(11-14)27-20(26)23-17/h1-6,11,13H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyPOKBSOWFFBKLDW-UHFFFAOYSA-N
XLogP3.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
2-[1-(4-fluorophenyl)piperidin-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 25256884
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]but-2-enyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 77273150
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110342164
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-(oxan-3-yl)benzamide
CID 166205987
6-[3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]propoxy]-3H-1,3-benzoxazol-2-one
CID 143892744
4-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94799655
4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181025
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396254

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide (CID 25259860) is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is O=C(NCC1CCN(c2ccc(Cl)cc2)CC1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
The InChIKey is POKBSOWFFBKLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-15-2-4-16(5-3-15)24-9-7-13(8-10-24)12-22-19(25)14-1-6-17-18(11-14)27-20(26)23-17/h1-6,11,13H,7-10,12H2,(H,22,25)(H,23,26).
What are the key properties of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide?
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 25259860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).