1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide

C19H34N2O3 — CID 111536677

IUPAC1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-2-3-7-12-20-18(23)16-8-13-21(14-9-16)17(22)15-19(24)10-5-4-6-11-19/h16,24H,2-15H2,1H3,(H,20,23)
InChIKeyZCGNSTKSOGTAAY-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.62
Rot. Bonds7

About 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide

1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 111536677) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
PubChem CID111536677
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2(O)CCCCC2)CC1
InChIInChI=1S/C19H34N2O3/c1-2-3-7-12-20-18(23)16-8-13-21(14-9-16)17(22)15-19(24)10-5-4-6-11-19/h16,24H,2-15H2,1H3,(H,20,23)
InChIKeyZCGNSTKSOGTAAY-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide (CID 111536677) is 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)CC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is ZCGNSTKSOGTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-2-3-7-12-20-18(23)16-8-13-21(14-9-16)17(22)15-19(24)10-5-4-6-11-19/h16,24H,2-15H2,1H3,(H,20,23).
What are the key properties of 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide?
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 111536677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).