1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide

C15H18N4O3 — CID 50757562

IUPAC1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2noc3ccccc23)CC1
InChIInChI=1S/C15H18N4O3/c16-14(20)10-5-7-19(8-6-10)15(21)17-9-12-11-3-1-2-4-13(11)22-18-12/h1-4,10H,5-9H2,(H2,16,20)(H,17,21)
InChIKeyOCLBNZLZRBCIGD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.23
Rot. Bonds3

About 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide

1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 50757562) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID50757562
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2noc3ccccc23)CC1
InChIInChI=1S/C15H18N4O3/c16-14(20)10-5-7-19(8-6-10)15(21)17-9-12-11-3-1-2-4-13(11)22-18-12/h1-4,10H,5-9H2,(H2,16,20)(H,17,21)
InChIKeyOCLBNZLZRBCIGD-UHFFFAOYSA-N
XLogP1.23
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 138004733
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 56820950
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide (CID 50757562) is 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCc2noc3ccccc23)CC1.
What is the InChIKey of 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is OCLBNZLZRBCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-14(20)10-5-7-19(8-6-10)15(21)17-9-12-11-3-1-2-4-13(11)22-18-12/h1-4,10H,5-9H2,(H2,16,20)(H,17,21).
What are the key properties of 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide?
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 50757562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).