N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C16H25N3O3 — CID 111433976

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1noc2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-12-6-10-19(11-7-12)9-3-8-17-16(21)15-13-4-1-2-5-14(13)22-18-15/h12,20H,1-11H2,(H,17,21)
InChIKeyHRXLVDFELBKGTE-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.13
Rot. Bonds5

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 111433976) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID111433976
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1noc2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-12-6-10-19(11-7-12)9-3-8-17-16(21)15-13-4-1-2-5-14(13)22-18-15/h12,20H,1-11H2,(H,17,21)
InChIKeyHRXLVDFELBKGTE-UHFFFAOYSA-N
XLogP1.13
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254362
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
N-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 67463290
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155331858
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
N-(1-methylsulfonylpiperidin-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 47910461
N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 128666846
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 111434010

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 111433976) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCCCN1CCC(O)CC1)c1noc2c1CCCC2.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is HRXLVDFELBKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-12-6-10-19(11-7-12)9-3-8-17-16(21)15-13-4-1-2-5-14(13)22-18-15/h12,20H,1-11H2,(H,17,21).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 111433976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).