1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C18H27N5O2 — CID 95784312

IUPAC1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESC[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H27N5O2/c1-13-12-21(2)9-7-16(13)22(3)18(25)20-14-5-4-6-15(11-14)23-10-8-19-17(23)24/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,19,24)(H,20,25)/t13-,16-/m0/s1
InChIKeyMKQUVACSGHYKAE-BBRMVZONSA-N
MW345.45 g/mol
LogP2.02
Rot. Bonds3

About 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 95784312) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID95784312
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESC[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H27N5O2/c1-13-12-21(2)9-7-16(13)22(3)18(25)20-14-5-4-6-15(11-14)23-10-8-19-17(23)24/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,19,24)(H,20,25)/t13-,16-/m0/s1
InChIKeyMKQUVACSGHYKAE-BBRMVZONSA-N
XLogP2.02
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 96533752
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 52513315
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 95784312) is 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is MKQUVACSGHYKAE-BBRMVZONSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-12-21(2)9-7-16(13)22(3)18(25)20-14-5-4-6-15(11-14)23-10-8-19-17(23)24/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,19,24)(H,20,25)/t13-,16-/m0/s1.
What are the key properties of 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 345.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 95784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).