N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide

C16H20N4O2 — CID 127776962

IUPACN-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H20N4O2/c1-17-14(21)10-11-5-8-20(9-6-11)16(22)13-3-2-12-4-7-18-15(12)19-13/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyPFPWLIGDCGAUCY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide

N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide (PubChem CID 127776962) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
PubChem CID127776962
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C16H20N4O2/c1-17-14(21)10-11-5-8-20(9-6-11)16(22)13-3-2-12-4-7-18-15(12)19-13/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyPFPWLIGDCGAUCY-UHFFFAOYSA-N
XLogP1.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778121
1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157016726
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119186144
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778414
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127777972
cyclopropyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 69009468
4-[2-(methylamino)-2-oxoethyl]-N-(3-methyl-4-pyridinyl)piperidine-1-carboxamide
CID 138042028
2-[1-[2-chloro-5-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-N-methylacetamide
CID 138046374
2-[1-[2-(furan-3-yl)acetyl]piperidin-4-yl]-N-methylacetamide
CID 138995042
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633814

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide (CID 127776962) is N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide is CNC(=O)CC1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is PFPWLIGDCGAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-14(21)10-11-5-8-20(9-6-11)16(22)13-3-2-12-4-7-18-15(12)19-13/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide?
N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 127776962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).