1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

C18H33N3O3 — CID 119288007

IUPAC1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-2-24-14-6-11-20-16(22)15-7-12-21(13-8-15)17(23)18(19)9-4-3-5-10-18/h15H,2-14,19H2,1H3,(H,20,22)
InChIKeyBZNUHMNPVLPNGE-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.43
Rot. Bonds7

About 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 119288007) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID119288007
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-2-24-14-6-11-20-16(22)15-7-12-21(13-8-15)17(23)18(19)9-4-3-5-10-18/h15H,2-14,19H2,1H3,(H,20,22)
InChIKeyBZNUHMNPVLPNGE-UHFFFAOYSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.43
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

1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087
1-(1-aminocyclobutanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 81172556
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
CID 86985142
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
1-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55859946
1-[2-(1-hydroxycyclohexyl)acetyl]-N-pentylpiperidine-4-carboxamide
CID 111536677

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 119288007) is 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(C(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is BZNUHMNPVLPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-2-24-14-6-11-20-16(22)15-7-12-21(13-8-15)17(23)18(19)9-4-3-5-10-18/h15H,2-14,19H2,1H3,(H,20,22).
What are the key properties of 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119288007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).