1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide

C14H17N3O2 — CID 9443132

IUPAC1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C14H17N3O2/c15-14(18)10-5-7-17(8-6-10)9-13-16-11-3-1-2-4-12(11)19-13/h1-4,10H,5-9H2,(H2,15,18)
InChIKeyLOMUTJZAJGSNFD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds3

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

1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 9443132) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID9443132
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc3ccccc3o2)CC1
InChIInChI=1S/C14H17N3O2/c15-14(18)10-5-7-17(8-6-10)9-13-16-11-3-1-2-4-12(11)19-13/h1-4,10H,5-9H2,(H2,15,18)
InChIKeyLOMUTJZAJGSNFD-UHFFFAOYSA-N
XLogP1.53
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 18142951
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
ethyl (3S)-1-(1,3-benzoxazol-2-ylmethyl)piperidine-3-carboxylate
CID 81338545
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 91253088
1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 56815353
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
1-[(2S)-2-[(2S)-1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315292
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide (CID 9443132) is 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LOMUTJZAJGSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(18)10-5-7-17(8-6-10)9-13-16-11-3-1-2-4-12(11)19-13/h1-4,10H,5-9H2,(H2,15,18).
What are the key properties of 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 9443132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).