1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C24H28N4O — CID 155457809

IUPAC1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1C[C@@H](c2ccc(CN)c3ncccc23)CN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C24H28N4O/c1-17-12-20(21-8-7-19(13-25)24-22(21)5-3-11-27-24)16-28(15-17)23(29)9-6-18-4-2-10-26-14-18/h2-5,7-8,10-11,14,17,20H,6,9,12-13,15-16,25H2,1H3/t17?,20-/m1/s1
InChIKeyJZPZRYRSDDSXMS-UUSAFJCLSA-N
MW388.52 g/mol
LogP3.67
Rot. Bonds5

About 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 155457809) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID155457809
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1C[C@@H](c2ccc(CN)c3ncccc23)CN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C24H28N4O/c1-17-12-20(21-8-7-19(13-25)24-22(21)5-3-11-27-24)16-28(15-17)23(29)9-6-18-4-2-10-26-14-18/h2-5,7-8,10-11,14,17,20H,6,9,12-13,15-16,25H2,1H3/t17?,20-/m1/s1
InChIKeyJZPZRYRSDDSXMS-UUSAFJCLSA-N
XLogP3.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

(3R,5R)-3-[8-(2H-azirin-2-yl)quinolin-5-yl]-5-methylpiperidine-1-carboxamide
CID 155461974
5-[1-[2-(1-aminocyclopropyl)acetyl]-5-methylpiperidin-3-yl]quinoline-8-carbonitrile
CID 134253889
5-[(3S)-5-methyl-1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]quinoline-8-carbonitrile
CID 134242487
(3R,5R)-3-methyl-5-[8-(methyliminomethyl)quinolin-5-yl]piperidine-1-carboxamide
CID 155462055
1-[(3R,5R)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone;1-[(3R,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 158528192
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110108424

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 155457809) is 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CC1C[C@@H](c2ccc(CN)c3ncccc23)CN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is JZPZRYRSDDSXMS-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-12-20(21-8-7-19(13-25)24-22(21)5-3-11-27-24)16-28(15-17)23(29)9-6-18-4-2-10-26-14-18/h2-5,7-8,10-11,14,17,20H,6,9,12-13,15-16,25H2,1H3/t17?,20-/m1/s1.
What are the key properties of 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 388.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 155457809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).