(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate

C20H21N3O4 — CID 177183632

IUPAC(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESCc1cc2n(c1)C(=O)N(OC(=O)N1CCC(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C20H21N3O4/c1-14-11-17-18(24)23(19(25)22(17)13-14)27-20(26)21-9-7-16(8-10-21)12-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyUBBLBWDWYFERKI-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.23
Rot. Bonds3

About (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate

(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate (PubChem CID 177183632) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate
PubChem CID177183632
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESCc1cc2n(c1)C(=O)N(OC(=O)N1CCC(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C20H21N3O4/c1-14-11-17-18(24)23(19(25)22(17)13-14)27-20(26)21-9-7-16(8-10-21)12-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyUBBLBWDWYFERKI-UHFFFAOYSA-N
XLogP3.23
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2338180
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl) hydrogen carbonate
CID 90757299
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate?
The IUPAC name of (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate (CID 177183632) is (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate is Cc1cc2n(c1)C(=O)N(OC(=O)N1CCC(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate?
The InChIKey is UBBLBWDWYFERKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-11-17-18(24)23(19(25)22(17)13-14)27-20(26)21-9-7-16(8-10-21)12-15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3.
What are the key properties of (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate?
(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 177183632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).