N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline

C18H24N4 — CID 146102925

IUPACN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
SMILESc1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1
InChIInChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20)
InChIKeyBZYZZYSAEOURMJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline

N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline (PubChem CID 146102925) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
PubChem CID146102925
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
SMILESc1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1
InChIInChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20)
InChIKeyBZYZZYSAEOURMJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80560827
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
CID 104860198
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
CID 43696521
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The IUPAC name of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline (CID 146102925) is N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline is c1cc(NC2CC(c3ncc[nH]3)C2)cc(N2CCCCC2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
The InChIKey is BZYZZYSAEOURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-9-22(10-3-1)17-6-4-5-15(13-17)21-16-11-14(12-16)18-19-7-8-20-18/h4-8,13-14,16,21H,1-3,9-12H2,(H,19,20).
What are the key properties of N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline?
N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline has a molecular weight of 296.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline is sourced from PubChem (CID 146102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).