1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile

C26H26FN5O — CID 142581187

IUPAC1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCNCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H26FN5O/c27-20-6-7-23-21(16-20)24(22(17-30-23)25(33)32-14-10-29-11-15-32)31-12-8-26(18-28,9-13-31)19-4-2-1-3-5-19/h1-7,16-17,29H,8-15H2
InChIKeyQTTPTGDUKXMDNG-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.48
Rot. Bonds3

About 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile

1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 142581187) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID142581187
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCNCC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H26FN5O/c27-20-6-7-23-21(16-20)24(22(17-30-23)25(33)32-14-10-29-11-15-32)31-12-8-26(18-28,9-13-31)19-4-2-1-3-5-19/h1-7,16-17,29H,8-15H2
InChIKeyQTTPTGDUKXMDNG-UHFFFAOYSA-N
XLogP3.48
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
CID 142581497
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
ethane;(6-fluoro-4-piperazin-1-ylquinolin-3-yl)-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581238
[6-fluoro-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 142581621
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980890
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 142581619
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581499
[6-fluoro-4-[4-(2-hydroxyethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 155092572
[6-fluoro-4-(4-phenylsulfanylpiperazin-1-yl)quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 174205767
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(4-trimethylstannylphenyl)piperidine-4-carbonitrile
CID 171561032

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile (CID 142581187) is 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCNCC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is QTTPTGDUKXMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-20-6-7-23-21(16-20)24(22(17-30-23)25(33)32-14-10-29-11-15-32)31-12-8-26(18-28,9-13-31)19-4-2-1-3-5-19/h1-7,16-17,29H,8-15H2.
What are the key properties of 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile?
1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 443.53 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).