N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

C24H28N4O4 — CID 45222250

IUPACN-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H28N4O4/c29-23(19-5-8-21-22(12-19)32-16-31-21)26-13-18-2-1-10-27(15-18)14-17-3-6-20(7-4-17)28-11-9-25-24(28)30/h3-8,12,18H,1-2,9-11,13-16H2,(H,25,30)(H,26,29)
InChIKeyDLDBIPUTIOBDNE-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.59
Rot. Bonds6

About N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 45222250) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID45222250
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H28N4O4/c29-23(19-5-8-21-22(12-19)32-16-31-21)26-13-18-2-1-10-27(15-18)14-17-3-6-20(7-4-17)28-11-9-25-24(28)30/h3-8,12,18H,1-2,9-11,13-16H2,(H,25,30)(H,26,29)
InChIKeyDLDBIPUTIOBDNE-UHFFFAOYSA-N
XLogP2.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45232644
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45191184
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95206581
N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 72895304
N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzamide
CID 40897873
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 45222250) is N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DLDBIPUTIOBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-23(19-5-8-21-22(12-19)32-16-31-21)26-13-18-2-1-10-27(15-18)14-17-3-6-20(7-4-17)28-11-9-25-24(28)30/h3-8,12,18H,1-2,9-11,13-16H2,(H,25,30)(H,26,29).
What are the key properties of N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 45222250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).