1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one

C21H28N4OS — CID 29170396

IUPAC1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCN1CCN(c2cccc(N3CCC(N(C)Cc4ccsc4)CC3)c2)C1=O
InChIInChI=1S/C21H28N4OS/c1-22-11-12-25(21(22)26)20-5-3-4-19(14-20)24-9-6-18(7-10-24)23(2)15-17-8-13-27-16-17/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
InChIKeySZSFPKLVOBLPQO-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.72
Rot. Bonds5

About 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one

1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one (PubChem CID 29170396) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one
PubChem CID29170396
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCN1CCN(c2cccc(N3CCC(N(C)Cc4ccsc4)CC3)c2)C1=O
InChIInChI=1S/C21H28N4OS/c1-22-11-12-25(21(22)26)20-5-3-4-19(14-20)24-9-6-18(7-10-24)23(2)15-17-8-13-27-16-17/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3
InChIKeySZSFPKLVOBLPQO-UHFFFAOYSA-N
XLogP3.72
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
CID 46982524
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CID 95047000
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
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1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
1-[4-(3-aminophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 43461699
1-(3-thiophen-3-ylphenyl)pyrrolidine
CID 145461347
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
1-[3-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110495277
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
(3S)-N-cyclopropyl-1-(3,4-difluorophenyl)-2-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95185961

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one (CID 29170396) is 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one is CN1CCN(c2cccc(N3CCC(N(C)Cc4ccsc4)CC3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The InChIKey is SZSFPKLVOBLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-22-11-12-25(21(22)26)20-5-3-4-19(14-20)24-9-6-18(7-10-24)23(2)15-17-8-13-27-16-17/h3-5,8,13-14,16,18H,6-7,9-12,15H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one?
1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one has a molecular weight of 384.55 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 29170396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).