[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea

C16H24N6O3 — CID 140555897

IUPAC[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CC(C)NC(N)=O)CC1)C2
InChIInChI=1S/C16H24N6O3/c1-10(19-15(17)24)7-14(23)20-5-3-12(4-6-20)21-9-13-8-18-11(2)22(13)16(21)25/h8,10,12H,3-7,9H2,1-2H3,(H3,17,19,24)
InChIKeyPNWMIAZNCULSGV-UHFFFAOYSA-N
MW348.41 g/mol
LogP0.41
Rot. Bonds4

About [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea

[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea (PubChem CID 140555897) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
PubChem CID140555897
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CC(C)NC(N)=O)CC1)C2
InChIInChI=1S/C16H24N6O3/c1-10(19-15(17)24)7-14(23)20-5-3-12(4-6-20)21-9-13-8-18-11(2)22(13)16(21)25/h8,10,12H,3-7,9H2,1-2H3,(H3,17,19,24)
InChIKeyPNWMIAZNCULSGV-UHFFFAOYSA-N
XLogP0.41
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-iodophenyl)-3-[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
CID 70841208
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 91005830
6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134787640
6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66852956
tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854284
N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66853350
(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 58857969
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
6-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134792844
[2-[(6-chloronaphthalen-2-yl)sulfonylmethyl]-3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamic acid
CID 69444780
4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(1-phenylethyl)piperidin-1-amine oxide
CID 87529036

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea?
The IUPAC name of [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea (CID 140555897) is [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea.
What is the SMILES notation for [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea?
The canonical SMILES for [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea is Cc1ncc2n1C(=O)N(C1CCN(C(=O)CC(C)NC(N)=O)CC1)C2.
What is the InChIKey of [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea?
The InChIKey is PNWMIAZNCULSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-10(19-15(17)24)7-14(23)20-5-3-12(4-6-20)21-9-13-8-18-11(2)22(13)16(21)25/h8,10,12H,3-7,9H2,1-2H3,(H3,17,19,24).
What are the key properties of [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea?
[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea has a molecular weight of 348.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea is sourced from PubChem (CID 140555897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).