N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

C19H33N3O2 — CID 71994812

IUPACN-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESCC(=CC(=O)N1CCN(CCNC(=O)C2CCC2)CC1)C(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-15(19(2,3)4)14-17(23)22-12-10-21(11-13-22)9-8-20-18(24)16-6-5-7-16/h14,16H,5-13H2,1-4H3,(H,20,24)
InChIKeyDHAWURVCPCVTJV-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71994812) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID71994812
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESCC(=CC(=O)N1CCN(CCNC(=O)C2CCC2)CC1)C(C)(C)C
InChIInChI=1S/C19H33N3O2/c1-15(19(2,3)4)14-17(23)22-12-10-21(11-13-22)9-8-20-18(24)16-6-5-7-16/h14,16H,5-13H2,1-4H3,(H,20,24)
InChIKeyDHAWURVCPCVTJV-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 71932197
tert-butyl N-[2-oxo-2-[4-[(E)-3,4,4-trimethylpent-2-enoyl]piperazin-1-yl]ethyl]carbamate
CID 108916112
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 88963415
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 71994812) is N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is CC(=CC(=O)N1CCN(CCNC(=O)C2CCC2)CC1)C(C)(C)C.
What is the InChIKey of N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is DHAWURVCPCVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(19(2,3)4)14-17(23)22-12-10-21(11-13-22)9-8-20-18(24)16-6-5-7-16/h14,16H,5-13H2,1-4H3,(H,20,24).
What are the key properties of N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71994812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).