N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C15H27N3O2 — CID 108974129

IUPACN-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-5-17-8-10-18(11-9-17)13(20)15(6-7-15)12(19)16-14(2,3)4/h5-11H2,1-4H3,(H,16,19)
InChIKeyPFSDSJDILCEODO-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds3

About N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974129) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974129
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-5-17-8-10-18(11-9-17)13(20)15(6-7-15)12(19)16-14(2,3)4/h5-11H2,1-4H3,(H,16,19)
InChIKeyPFSDSJDILCEODO-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[1-(tert-butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978680
N-(3,5-dichlorophenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974230
1-(4-ethylpiperazine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 108974224
N-(3-acetylphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974195
ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108974118
N-[4-(dimethylamino)phenyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974203
N-[2-(4-chlorophenyl)ethyl]-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974114
1-(4-ethylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974193
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974233
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134365
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-(4-ethylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 108974104

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974129) is N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2(C(=O)NC(C)(C)C)CC2)CC1.
What is the InChIKey of N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is PFSDSJDILCEODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-17-8-10-18(11-9-17)13(20)15(6-7-15)12(19)16-14(2,3)4/h5-11H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).