N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C15H26N2O2 — CID 110894046

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCCC(CO)C1
InChIInChI=1S/C15H26N2O2/c18-12-14-7-4-10-17(11-14)15(19)16-9-8-13-5-2-1-3-6-13/h5,14,18H,1-4,6-12H2,(H,16,19)
InChIKeyUKNCOHQVTBBPDW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110894046) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110894046
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)N1CCCC(CO)C1
InChIInChI=1S/C15H26N2O2/c18-12-14-7-4-10-17(11-14)15(19)16-9-8-13-5-2-1-3-6-13/h5,14,18H,1-4,6-12H2,(H,16,19)
InChIKeyUKNCOHQVTBBPDW-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
(3R)-3-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093805
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
N-[2-(cyclohepten-1-yl)ethyl]-3-piperazin-1-ylsulfonylazetidine-1-carboxamide
CID 128808178
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 111117261
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110894046) is N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCC1=CCCCC1)N1CCCC(CO)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is UKNCOHQVTBBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-12-14-7-4-10-17(11-14)15(19)16-9-8-13-5-2-1-3-6-13/h5,14,18H,1-4,6-12H2,(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110894046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).