1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C22H31N5O2 — CID 134799971

IUPAC1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C22H31N5O2/c1-22(2,3)21(29)27-11-5-6-16(14-27)20(28)26-12-8-15(9-13-26)18-24-17-7-4-10-23-19(17)25-18/h4,7,10,15-16H,5-6,8-9,11-14H2,1-3H3,(H,23,24,25)
InChIKeyROXKJKFLZJGJNN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.95
Rot. Bonds2

About 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134799971) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134799971
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C22H31N5O2/c1-22(2,3)21(29)27-11-5-6-16(14-27)20(28)26-12-8-15(9-13-26)18-24-17-7-4-10-23-19(17)25-18/h4,7,10,15-16H,5-6,8-9,11-14H2,1-3H3,(H,23,24,25)
InChIKeyROXKJKFLZJGJNN-UHFFFAOYSA-N
XLogP2.95
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134798664
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 134800138
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
CID 134796294
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
N-cyclopentyl-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134796615
CID 134799766
CID 134799766
CID 134798803
CID 134798803
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134793641
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795090

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 134799971) is 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ROXKJKFLZJGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-22(2,3)21(29)27-11-5-6-16(14-27)20(28)26-12-8-15(9-13-26)18-24-17-7-4-10-23-19(17)25-18/h4,7,10,15-16H,5-6,8-9,11-14H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 397.52 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134799971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).