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

C14H21N5O4 — CID 68647619

IUPAC[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)O)CC3)CN2C1
InChIInChI=1S/C14H21N5O4/c1-16-7-11-13(21)19(9-18(11)8-16)10-2-4-17(5-3-10)12(20)6-15-14(22)23/h7,10,15H,2-6,8-9H2,1H3,(H,22,23)
InChIKeyMADOYSFDVNLJOP-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.91
Rot. Bonds3

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

[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid (PubChem CID 68647619) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid
PubChem CID68647619
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)O)CC3)CN2C1
InChIInChI=1S/C14H21N5O4/c1-16-7-11-13(21)19(9-18(11)8-16)10-2-4-17(5-3-10)12(20)6-15-14(22)23/h7,10,15H,2-6,8-9H2,1H3,(H,22,23)
InChIKeyMADOYSFDVNLJOP-UHFFFAOYSA-N
XLogP-0.91
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 66852833
CID 66852833
CID 66852834
CID 66852834
CID 66854055
CID 66854055
CID 66854160
CID 66854160
CID 66854224
CID 66854224
CID 68566601
CID 68566601
CID 68646721
CID 68646721
CID 68646730
CID 68646730
CID 68646794
CID 68646794
CID 68646946
CID 68646946
CID 68646958
CID 68646958
CID 68646992
CID 68646992

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid (CID 68647619) is [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid is CN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)O)CC3)CN2C1.
What is the InChIKey of [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The InChIKey is MADOYSFDVNLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-16-7-11-13(21)19(9-18(11)8-16)10-2-4-17(5-3-10)12(20)6-15-14(22)23/h7,10,15H,2-6,8-9H2,1H3,(H,22,23).
What are the key properties of [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid has a molecular weight of 323.35 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 68647619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).