N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

C22H34N4 — CID 155035458

IUPACN-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESC=C(NC1CC(CCN2CCN(c3cccc(C)c3)CC2)C1)N1CCC1
InChIInChI=1S/C22H34N4/c1-18-5-3-6-22(15-18)26-13-11-24(12-14-26)10-7-20-16-21(17-20)23-19(2)25-8-4-9-25/h3,5-6,15,20-21,23H,2,4,7-14,16-17H2,1H3
InChIKeySIDRCPGFYMJLCN-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.05
Rot. Bonds7

About N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 155035458) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID155035458
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC NameN-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESC=C(NC1CC(CCN2CCN(c3cccc(C)c3)CC2)C1)N1CCC1
InChIInChI=1S/C22H34N4/c1-18-5-3-6-22(15-18)26-13-11-24(12-14-26)10-7-20-16-21(17-20)23-19(2)25-8-4-9-25/h3,5-6,15,20-21,23H,2,4,7-14,16-17H2,1H3
InChIKeySIDRCPGFYMJLCN-UHFFFAOYSA-N
XLogP3.05
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine with MolForge

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Related Compounds

1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
CID 140543052
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119458299
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
potassium trifluoro-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-en-2-yl]boranuide
CID 106745610
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 42957664
1-acetyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-3-carboxamide
CID 42959855
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (CID 155035458) is N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is C=C(NC1CC(CCN2CCN(c3cccc(C)c3)CC2)C1)N1CCC1.
What is the InChIKey of N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is SIDRCPGFYMJLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-18-5-3-6-22(15-18)26-13-11-24(12-14-26)10-7-20-16-21(17-20)23-19(2)25-8-4-9-25/h3,5-6,15,20-21,23H,2,4,7-14,16-17H2,1H3.
What are the key properties of N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 354.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-1-yl)ethenyl]-3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 155035458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).