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

C19H27N5O4 — CID 66852847

IUPAC(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2ncc3n2C(=O)N(C2CCNCC2)C3)CC1
InChIInChI=1S/C19H27N5O4/c1-13(25)22-8-4-14(5-9-22)18(26)28-12-17-21-10-16-11-23(19(27)24(16)17)15-2-6-20-7-3-15/h10,14-15,20H,2-9,11-12H2,1H3
InChIKeyLNPBUOUYZBHFOS-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.72
Rot. Bonds4

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

(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate (PubChem CID 66852847) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate
PubChem CID66852847
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2ncc3n2C(=O)N(C2CCNCC2)C3)CC1
InChIInChI=1S/C19H27N5O4/c1-13(25)22-8-4-14(5-9-22)18(26)28-12-17-21-10-16-11-23(19(27)24(16)17)15-2-6-20-7-3-15/h10,14-15,20H,2-9,11-12H2,1H3
InChIKeyLNPBUOUYZBHFOS-UHFFFAOYSA-N
XLogP0.72
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate with MolForge

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Related Compounds

5-(Methoxymethyl)-2-(4-piperidinyl)-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one
CID 23084043
tert-butyl N-[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate
CID 23138121
tert-butyl 2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propylcarbamate
CID 23138125
tert-butyl N-[3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 23138213
tert-butyl N-[3-ethoxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 23138258
tert-butyl N-[2-methyl-3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
CID 23138290
methyl 4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 23138345
tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 23138434
tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66852787
tert-butyl 4-[3-[3-(hexanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66852808
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride
CID 66852828
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate
CID 66852829

Frequently Asked Questions

What is the IUPAC name of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate?
The IUPAC name of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate (CID 66852847) is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate.
What is the SMILES notation for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate?
The canonical SMILES for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCc2ncc3n2C(=O)N(C2CCNCC2)C3)CC1.
What is the InChIKey of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate?
The InChIKey is LNPBUOUYZBHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-13(25)22-8-4-14(5-9-22)18(26)28-12-17-21-10-16-11-23(19(27)24(16)17)15-2-6-20-7-3-15/h10,14-15,20H,2-9,11-12H2,1H3.
What are the key properties of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate?
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate is sourced from PubChem (CID 66852847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).