(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one

C21H27N3O2 — CID 160511355

IUPAC(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)[C@@H](O)C3CC3)C2)c2cccnc12
InChIInChI=1S/C21H27N3O2/c1-13-8-15(9-19(25)21(26)16-5-6-16)12-24(11-13)18-10-23-14(2)20-17(18)4-3-7-22-20/h3-4,7,10,13,15-16,21,26H,5-6,8-9,11-12H2,1-2H3/t13-,15-,21-/m0/s1
InChIKeyQTBVCQVOOKEQOP-YHQOMNDMSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds5

About (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one

(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one (PubChem CID 160511355) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
PubChem CID160511355
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)[C@@H](O)C3CC3)C2)c2cccnc12
InChIInChI=1S/C21H27N3O2/c1-13-8-15(9-19(25)21(26)16-5-6-16)12-24(11-13)18-10-23-14(2)20-17(18)4-3-7-22-20/h3-4,7,10,13,15-16,21,26H,5-6,8-9,11-12H2,1-2H3/t13-,15-,21-/m0/s1
InChIKeyQTBVCQVOOKEQOP-YHQOMNDMSA-N
XLogP3.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 147736630
2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
CID 129240789
3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
CID 129241169
tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate
CID 158758384
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159921824
5-[(3S,5S)-3-methyl-5-[(3R)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441484
5-[(3S,5S)-3-methyl-5-[(3S)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441485
tert-butyl 6-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-5-oxohexanoate
CID 161485665
[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate
CID 175014589
(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine
CID 129241091

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The IUPAC name of (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one (CID 160511355) is (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one.
What is the SMILES notation for (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The canonical SMILES for (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one is Cc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)[C@@H](O)C3CC3)C2)c2cccnc12.
What is the InChIKey of (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The InChIKey is QTBVCQVOOKEQOP-YHQOMNDMSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13-8-15(9-19(25)21(26)16-5-6-16)12-24(11-13)18-10-23-14(2)20-17(18)4-3-7-22-20/h3-4,7,10,13,15-16,21,26H,5-6,8-9,11-12H2,1-2H3/t13-,15-,21-/m0/s1.
What are the key properties of (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one has a molecular weight of 353.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one is sourced from PubChem (CID 160511355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).