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

C14H19N5O4 — CID 87529228

IUPAC[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(N(CC=O)C(=O)O)CC1)C2
InChIInChI=1S/C14H19N5O4/c1-10-15-8-12-9-17(13(21)19(10)12)11-2-4-16(5-3-11)18(6-7-20)14(22)23/h7-8,11H,2-6,9H2,1H3,(H,22,23)
InChIKeyLJTJGGYMSAHAEH-UHFFFAOYSA-N
MW321.34 g/mol
LogP0.53
Rot. Bonds4

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

[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid (PubChem CID 87529228) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid
PubChem CID87529228
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(N(CC=O)C(=O)O)CC1)C2
InChIInChI=1S/C14H19N5O4/c1-10-15-8-12-9-17(13(21)19(10)12)11-2-4-16(5-3-11)18(6-7-20)14(22)23/h7-8,11H,2-6,9H2,1H3,(H,22,23)
InChIKeyLJTJGGYMSAHAEH-UHFFFAOYSA-N
XLogP0.53
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]acetamide
CID 23084019
Tert-butyl 4-(5-formyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)piperidine-1-carboxylate
CID 23084027
tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084046
tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084100
tert-butyl 4-[5-(hydroxymethyl)-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl]piperidine-1-carboxylate
CID 23084137
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
CID 23138128
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
CID 23138228
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 23138303
tert-butyl 2-(4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)-2-oxoethylcarbamate
CID 23138308
tert-butyl N-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 23138380
4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid
CID 66853552
tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
CID 68646504

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid (CID 87529228) is [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid is Cc1ncc2n1C(=O)N(C1CCN(N(CC=O)C(=O)O)CC1)C2.
What is the InChIKey of [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid?
The InChIKey is LJTJGGYMSAHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4/c1-10-15-8-12-9-17(13(21)19(10)12)11-2-4-16(5-3-11)18(6-7-20)14(22)23/h7-8,11H,2-6,9H2,1H3,(H,22,23).
What are the key properties of [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid?
[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid has a molecular weight of 321.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87529228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).