[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

C22H26N4O3 — CID 72843694

IUPAC[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C22H26N4O3/c27-21(16-2-3-16)26-8-5-17-20(24-13-23-17)22(26)6-9-25(10-7-22)12-15-1-4-18-19(11-15)29-14-28-18/h1,4,11,13,16H,2-3,5-10,12,14H2,(H,23,24)
InChIKeyXZBGQAZYBKBEOY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.42
Rot. Bonds3

About [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (PubChem CID 72843694) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
PubChem CID72843694
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C22H26N4O3/c27-21(16-2-3-16)26-8-5-17-20(24-13-23-17)22(26)6-9-25(10-7-22)12-15-1-4-18-19(11-15)29-14-28-18/h1,4,11,13,16H,2-3,5-10,12,14H2,(H,23,24)
InChIKeyXZBGQAZYBKBEOY-UHFFFAOYSA-N
XLogP2.42
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[1'-[(5-methyl-1H-imidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72856509
cyclopropyl-[1'-[(1-ethylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72857907
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 72905014
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95891558
(3R)-8-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95891557
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 72898397
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
cyclopropyl-[1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72915215
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033
1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 113005145
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752

Frequently Asked Questions

What is the IUPAC name of [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The IUPAC name of [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (CID 72843694) is [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The canonical SMILES for [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCO3)CC2.
What is the InChIKey of [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The InChIKey is XZBGQAZYBKBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(16-2-3-16)26-8-5-17-20(24-13-23-17)22(26)6-9-25(10-7-22)12-15-1-4-18-19(11-15)29-14-28-18/h1,4,11,13,16H,2-3,5-10,12,14H2,(H,23,24).
What are the key properties of [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
[1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone has a molecular weight of 394.48 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(1,3-benzodioxol-5-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 72843694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).