1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea

C15H29N5O — CID 143176456

IUPAC1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea
SMILESCC(C)N1C=C(CCNC(=O)NC2CCN(C)CC2)NC1
InChIInChI=1S/C15H29N5O/c1-12(2)20-10-14(17-11-20)4-7-16-15(21)18-13-5-8-19(3)9-6-13/h10,12-13,17H,4-9,11H2,1-3H3,(H2,16,18,21)
InChIKeySWGHLLXIHAUJHR-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.88
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea

1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea (PubChem CID 143176456) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea
PubChem CID143176456
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea
SMILESCC(C)N1C=C(CCNC(=O)NC2CCN(C)CC2)NC1
InChIInChI=1S/C15H29N5O/c1-12(2)20-10-14(17-11-20)4-7-16-15(21)18-13-5-8-19(3)9-6-13/h10,12-13,17H,4-9,11H2,1-3H3,(H2,16,18,21)
InChIKeySWGHLLXIHAUJHR-UHFFFAOYSA-N
XLogP0.88
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea with MolForge

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Related Compounds

5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
3-cyclohexyl-4-methyl-1H-imidazol-2-one
CID 10954129
5-butyl-3-cyclohexyl-1H-imidazol-2-one
CID 18384804
4-butyl-3-propyl-1H-imidazol-2-one
CID 23207465
4-butyl-3-pentyl-1H-imidazol-2-one
CID 23207466
4-Isopropyl-1-piperidin-4-yl-1,3-dihydro-2H-imidazol-2-one
CID 57979574
2-Oxo-1-piperidin-4-yl-2,3-dihydro-1H-imidazole-4-carbonitrile
CID 59856528
4-butyl-3-cyclopentyl-1H-imidazol-2-one
CID 67794663
1-Propan-2-yl-3-(1-prop-1-en-2-ylpiperidin-4-yl)urea
CID 68267242
1-methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-imidazol-2-one hydrochloride
CID 68296721
1-Methyl-3-piperidin-4-ylimidazol-2-one
CID 68296722
2,7-Dimethyl-3,6,7,8-tetrahydroimidazo[1,5-c]pyrimidin-5-one
CID 68368731

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea (CID 143176456) is 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea is CC(C)N1C=C(CCNC(=O)NC2CCN(C)CC2)NC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea?
The InChIKey is SWGHLLXIHAUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-12(2)20-10-14(17-11-20)4-7-16-15(21)18-13-5-8-19(3)9-6-13/h10,12-13,17H,4-9,11H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea?
1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea has a molecular weight of 295.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[2-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)ethyl]urea is sourced from PubChem (CID 143176456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).