N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C16H28N2O2 — CID 108971442

IUPACN-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C16H28N2O2/c1-4-12(3)17-14(19)16(9-10-16)15(20)18-11-7-6-8-13(18)5-2/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyVAHGNAQUVZHOSR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds5

About N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108971442) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108971442
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C16H28N2O2/c1-4-12(3)17-14(19)16(9-10-16)15(20)18-11-7-6-8-13(18)5-2/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyVAHGNAQUVZHOSR-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973786
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108971442) is N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CCC(C)NC(=O)C1(C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is VAHGNAQUVZHOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-12(3)17-14(19)16(9-10-16)15(20)18-11-7-6-8-13(18)5-2/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108971442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).