(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide

C23H29N5O — CID 11509386

IUPAC(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCc2ccccc2)C[C@@H]1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H29N5O/c1-17-11-15-28(23(29)26-12-8-18-6-4-3-5-7-18)16-21(17)27(2)20-10-14-25-22-19(20)9-13-24-22/h3-7,9-10,13-14,17,21H,8,11-12,15-16H2,1-2H3,(H,24,25)(H,26,29)/t17-,21+/m1/s1
InChIKeyAPHIDOCYPDPSBT-UTKZUKDTSA-N
MW391.52 g/mol
LogP3.66
Rot. Bonds5

About (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide

(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 11509386) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID11509386
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCc2ccccc2)C[C@@H]1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H29N5O/c1-17-11-15-28(23(29)26-12-8-18-6-4-3-5-7-18)16-21(17)27(2)20-10-14-25-22-19(20)9-13-24-22/h3-7,9-10,13-14,17,21H,8,11-12,15-16H2,1-2H3,(H,24,25)(H,26,29)/t17-,21+/m1/s1
InChIKeyAPHIDOCYPDPSBT-UTKZUKDTSA-N
XLogP3.66
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-N-benzyl-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 11703555
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
1-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 58051593
methyl (4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxylate
CID 59659083
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
methane;3-[(4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 159108542
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
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
N-methyl-N-(4-methyl-1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 73040573
N-methyl-N-[(4R)-4-methyl-1-(pyridin-2-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659121
benzyl 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 68900587
2,2-dimethyl-4-[methyl-[1-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]ethenyl]amino]butanenitrile;ethane
CID 143251796

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 11509386) is (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide is C[C@@H]1CCN(C(=O)NCCc2ccccc2)C[C@@H]1N(C)c1ccnc2[nH]ccc12.
What is the InChIKey of (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is APHIDOCYPDPSBT-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-11-15-28(23(29)26-12-8-18-6-4-3-5-7-18)16-21(17)27(2)20-10-14-25-22-19(20)9-13-24-22/h3-7,9-10,13-14,17,21H,8,11-12,15-16H2,1-2H3,(H,24,25)(H,26,29)/t17-,21+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide?
(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 11509386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).