N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C15H27N3O2 — CID 109134365

IUPACN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-17-6-8-18(9-7-17)14(20)12-10-11(12)13(19)16-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeyYJNWQGXWONIPPJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds3

About N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134365) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134365
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-5-17-6-8-18(9-7-17)14(20)12-10-11(12)13(19)16-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeyYJNWQGXWONIPPJ-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133273
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133636
4-[2-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 109134315
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
N-(5-chloro-2-methylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134408
N-(3,4-dimethylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134387
N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139052
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109134337
N-tert-butyl-2-(2,2-dimethylpropanoyl)cyclopropane-1-carboxamide
CID 168727027
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134365) is N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2CC2C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is YJNWQGXWONIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-17-6-8-18(9-7-17)14(20)12-10-11(12)13(19)16-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).