1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one

C18H26N4O — CID 58051593

IUPAC1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C18H26N4O/c1-4-5-17(23)22-11-8-13(2)16(12-22)21(3)15-7-10-20-18-14(15)6-9-19-18/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyLQLZRTCINKAJAN-JBZHPUCOSA-N
MW314.43 g/mol
LogP3.04
Rot. Bonds4

About 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one

1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one (PubChem CID 58051593) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
PubChem CID58051593
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1
InChIInChI=1S/C18H26N4O/c1-4-5-17(23)22-11-8-13(2)16(12-22)21(3)15-7-10-20-18-14(15)6-9-19-18/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyLQLZRTCINKAJAN-JBZHPUCOSA-N
XLogP3.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 73050335
methane;3-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 159108542
1-[4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 73018908
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 59659083
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58051589
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
(3R,4R)-N-benzyl-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 11703555
4-hydroxy-3-[2-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 91606639
(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 11509386
2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
CID 11509352
N-methyl-N-(4-methyl-1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 73040573
(4R)-N-[5-(cyanomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 58692439

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one (CID 58051593) is 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1.
What is the InChIKey of 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one?
The InChIKey is LQLZRTCINKAJAN-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-5-17(23)22-11-8-13(2)16(12-22)21(3)15-7-10-20-18-14(15)6-9-19-18/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1.
What are the key properties of 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one?
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 314.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 58051593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).