1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one

C22H34N4O — CID 46982524

IUPAC1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc(N3CCC(NC4CCCCCC4)CC3)c2)C1=O
InChIInChI=1S/C22H34N4O/c1-24-15-16-26(22(24)27)21-10-6-9-20(17-21)25-13-11-19(12-14-25)23-18-7-4-2-3-5-8-18/h6,9-10,17-19,23H,2-5,7-8,11-16H2,1H3
InChIKeyLXKSTZAACVMBDH-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.84
Rot. Bonds4

About 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one

1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 46982524) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
PubChem CID46982524
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cccc(N3CCC(NC4CCCCCC4)CC3)c2)C1=O
InChIInChI=1S/C22H34N4O/c1-24-15-16-26(22(24)27)21-10-6-9-20(17-21)25-13-11-19(12-14-25)23-18-7-4-2-3-5-8-18/h6,9-10,17-19,23H,2-5,7-8,11-16H2,1H3
InChIKeyLXKSTZAACVMBDH-UHFFFAOYSA-N
XLogP3.84
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 95047000
1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 29170396
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31054711
1-methyl-3-[4-[4-[(5-methylpyrazin-2-yl)methylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31016726
1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
CID 126760369
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one (CID 46982524) is 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2cccc(N3CCC(NC4CCCCCC4)CC3)c2)C1=O.
What is the InChIKey of 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is LXKSTZAACVMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24-15-16-26(22(24)27)21-10-6-9-20(17-21)25-13-11-19(12-14-25)23-18-7-4-2-3-5-8-18/h6,9-10,17-19,23H,2-5,7-8,11-16H2,1H3.
What are the key properties of 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one?
1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 370.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 46982524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).