1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide

C14H25N3O4S — CID 38427278

IUPAC1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O4S/c1-2-22(20,21)16-8-7-15-13(18)11-5-9-17(10-6-11)14(19)12-3-4-12/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyOAQJAYOKGKESDW-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.31
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide (PubChem CID 38427278) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
PubChem CID38427278
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H25N3O4S/c1-2-22(20,21)16-8-7-15-13(18)11-5-9-17(10-6-11)14(19)12-3-4-12/h11-12,16H,2-10H2,1H3,(H,15,18)
InChIKeyOAQJAYOKGKESDW-UHFFFAOYSA-N
XLogP-0.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.31
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-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94116306
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-(2-amino-2-oxoethyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 60668234
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103550405
N-[2-[[N-ethyl-N'-[3-(ethylsulfonylamino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928140
1-(cyclopropanecarbonyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94115475

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide (CID 38427278) is 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide is CCS(=O)(=O)NCCNC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is OAQJAYOKGKESDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-2-22(20,21)16-8-7-15-13(18)11-5-9-17(10-6-11)14(19)12-3-4-12/h11-12,16H,2-10H2,1H3,(H,15,18).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 38427278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).