4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide

C17H23N3O3 — CID 18532742

IUPAC4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-22-12-4-9-18-17(21)20-10-7-13(8-11-20)16-19-14-5-2-3-6-15(14)23-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)
InChIKeyZGTLWFZNOMMMNS-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.75
Rot. Bonds5

About 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide (PubChem CID 18532742) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
PubChem CID18532742
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H23N3O3/c1-22-12-4-9-18-17(21)20-10-7-13(8-11-20)16-19-14-5-2-3-6-15(14)23-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)
InChIKeyZGTLWFZNOMMMNS-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
tert-butyl N-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]carbamate
CID 51217581
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 55929808
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
CID 35186967
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 29360167

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide (CID 18532742) is 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide is COCCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide?
The InChIKey is ZGTLWFZNOMMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-22-12-4-9-18-17(21)20-10-7-13(8-11-20)16-19-14-5-2-3-6-15(14)23-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 18532742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).