1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

C14H16ClN3O3 — CID 47023313

IUPAC1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H16ClN3O3/c15-10-1-2-12-11(7-10)18(14(20)21-12)8-17-5-3-9(4-6-17)13(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19)
InChIKeyXRIWQNWOIQBCBS-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.40
Rot. Bonds3

About 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 47023313) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID47023313
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H16ClN3O3/c15-10-1-2-12-11(7-10)18(14(20)21-12)8-17-5-3-9(4-6-17)13(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19)
InChIKeyXRIWQNWOIQBCBS-UHFFFAOYSA-N
XLogP1.40
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl chloride
CID 12547768
2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 56816591
6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 60526702
1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55865731
3-(3-bromo-2-oxopropyl)-5-chloro-1,3-benzoxazol-2-one
CID 12577340
N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 55813629
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
CID 82105315
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9206469
3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one
CID 47023121
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1R)-1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 57488834

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (CID 47023313) is 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cn2c(=O)oc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is XRIWQNWOIQBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-10-1-2-12-11(7-10)18(14(20)21-12)8-17-5-3-9(4-6-17)13(16)19/h1-2,7,9H,3-6,8H2,(H2,16,19).
What are the key properties of 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47023313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).