N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

C24H29FN4O — CID 167964832

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)C(NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O/c1-16(2)23(18-5-7-19(25)8-6-18)28-22(30)15-29-12-9-17(10-13-29)21-14-27-24-20(21)4-3-11-26-24/h3-8,11,14,16-17,23H,9-10,12-13,15H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyIZBSGOZJBCZVFR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.39
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 167964832) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID167964832
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCC(C)C(NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O/c1-16(2)23(18-5-7-19(25)8-6-18)28-22(30)15-29-12-9-17(10-13-29)21-14-27-24-20(21)4-3-11-26-24/h3-8,11,14,16-17,23H,9-10,12-13,15H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyIZBSGOZJBCZVFR-UHFFFAOYSA-N
XLogP4.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 55468968
2-(3-fluorophenoxy)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 86829901
1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903905
N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 139004139
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 71999903

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (CID 167964832) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is CC(C)C(NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is IZBSGOZJBCZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-16(2)23(18-5-7-19(25)8-6-18)28-22(30)15-29-12-9-17(10-13-29)21-14-27-24-20(21)4-3-11-26-24/h3-8,11,14,16-17,23H,9-10,12-13,15H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 167964832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).