1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide

C17H31N3O3 — CID 56796664

IUPAC1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1CCCCC1OCCNC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H31N3O3/c1-13-4-2-3-5-15(13)23-11-8-19-16(21)12-20-9-6-14(7-10-20)17(18)22/h13-15H,2-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyJJKDTNRVPBDESV-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.90
Rot. Bonds7

About 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 56796664) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID56796664
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1CCCCC1OCCNC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H31N3O3/c1-13-4-2-3-5-15(13)23-11-8-19-16(21)12-20-9-6-14(7-10-20)17(18)22/h13-15H,2-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyJJKDTNRVPBDESV-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.90
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

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
CID 110921438
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 56796664) is 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide is CC1CCCCC1OCCNC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is JJKDTNRVPBDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13-4-2-3-5-15(13)23-11-8-19-16(21)12-20-9-6-14(7-10-20)17(18)22/h13-15H,2-12H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56796664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).