1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide

C17H30N2O4 — CID 128987745

IUPAC1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCCOC2CCCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-14(20)19-11-6-9-17(22,13-19)16(21)18-10-12-23-15-7-4-2-3-5-8-15/h15,22H,2-13H2,1H3,(H,18,21)
InChIKeyOCLMVDSBRTTWDT-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.22
Rot. Bonds5

About 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide

1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128987745) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128987745
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCCOC2CCCCCC2)C1
InChIInChI=1S/C17H30N2O4/c1-14(20)19-11-6-9-17(22,13-19)16(21)18-10-12-23-15-7-4-2-3-5-8-15/h15,22H,2-13H2,1H3,(H,18,21)
InChIKeyOCLMVDSBRTTWDT-UHFFFAOYSA-N
XLogP1.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-acetyl-3-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
CID 129491664
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
1-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide
CID 63827760
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide (CID 128987745) is 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCCC(O)(C(=O)NCCOC2CCCCCC2)C1.
What is the InChIKey of 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is OCLMVDSBRTTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-14(20)19-11-6-9-17(22,13-19)16(21)18-10-12-23-15-7-4-2-3-5-8-15/h15,22H,2-13H2,1H3,(H,18,21).
What are the key properties of 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128987745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).