cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C22H28N4O — CID 72906459

IUPACcyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H28N4O/c27-21(18-6-7-18)26-13-9-19-20(24-16-23-19)22(26)10-14-25(15-11-22)12-8-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,23,24)
InChIKeyHPPBRKZFVWRZKR-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.74
Rot. Bonds4

About cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72906459) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72906459
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Namecyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C22H28N4O/c27-21(18-6-7-18)26-13-9-19-20(24-16-23-19)22(26)10-14-25(15-11-22)12-8-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,23,24)
InChIKeyHPPBRKZFVWRZKR-UHFFFAOYSA-N
XLogP2.74
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1'-[(3-chlorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 72911933
2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
CID 72866650
cyclopropyl-[1'-[(4-methylsulfanylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72928120
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'-[(E)-3-(4-fluorophenyl)prop-2-enyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72896534
[1'-[[(1R)-cyclohex-3-en-1-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 97273723
cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72923482
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'-[(2-chloro-4-fluorophenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
CID 72917026
cyclopropyl-[1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72856407
cyclopropyl-[1'-(6-methylpyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72924359
cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72854553

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72906459) is cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CCc1ccccc1)CC2.
What is the InChIKey of cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is HPPBRKZFVWRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(18-6-7-18)26-13-9-19-20(24-16-23-19)22(26)10-14-25(15-11-22)12-8-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,23,24).
What are the key properties of cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72906459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).