(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone

C17H28N4O — CID 118742576

IUPAC(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2
InChIInChI=1S/C17H28N4O/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3/h12-13H,5-11H2,1-4H3
InChIKeyITQUMXYMOGBVRG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.47
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone

(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone (PubChem CID 118742576) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone
PubChem CID118742576
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone
SMILESCC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2
InChIInChI=1S/C17H28N4O/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3/h12-13H,5-11H2,1-4H3
InChIKeyITQUMXYMOGBVRG-UHFFFAOYSA-N
XLogP2.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine-5(4H)-carboxamide
CID 45268648
1-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-2,2-dimethylpropan-1-one
CID 45269498
N-(1-ethylpiperidin-4-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
CID 53567332
2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 53568952
2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53568986
1-(4-acetylpiperazin-1-yl)-2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 53609869
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 71932519
(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-pyrrolidin-1-ylmethanone
CID 97524849
[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 118738867
cyclopropyl-[2-(2-methylpiperidine-1-carbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118738892
2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 53191077
2-(3-ethyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-morpholino-1-ethanone
CID 53194876

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone (CID 118742576) is (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone is CC1CCCCN1C(=O)c1nc2c(n1C(C)C)CCN(C)C2.
What is the InChIKey of (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone?
The InChIKey is ITQUMXYMOGBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)21-15-8-10-19(4)11-14(15)18-16(21)17(22)20-9-6-5-7-13(20)3/h12-13H,5-11H2,1-4H3.
What are the key properties of (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone?
(2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(5-methyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)methanone is sourced from PubChem (CID 118742576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).