N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

C20H35N3O2 — CID 87013515

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-4-22(14-16(2)3)15-19(24)21-18-10-12-23(13-11-18)20(25)17-8-6-5-7-9-17/h17-18H,2,4-15H2,1,3H3,(H,21,24)
InChIKeyXILNBFHEZKNRNX-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.57
Rot. Bonds7

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (PubChem CID 87013515) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
PubChem CID87013515
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
SMILESC=C(C)CN(CC)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-4-22(14-16(2)3)15-19(24)21-18-10-12-23(13-11-18)20(25)17-8-6-5-7-9-17/h17-18H,2,4-15H2,1,3H3,(H,21,24)
InChIKeyXILNBFHEZKNRNX-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
CID 87013516
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide (CID 87013515) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is C=C(C)CN(CC)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
The InChIKey is XILNBFHEZKNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-4-22(14-16(2)3)15-19(24)21-18-10-12-23(13-11-18)20(25)17-8-6-5-7-9-17/h17-18H,2,4-15H2,1,3H3,(H,21,24).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide has a molecular weight of 349.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[ethyl(2-methylprop-2-enyl)amino]acetamide is sourced from PubChem (CID 87013515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).