1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile

C26H28F2N4O2 — CID 142581184

IUPAC1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(C(=O)N3CCC(C(=O)C4CC4)CC3)cnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C26H28F2N4O2/c1-26(15-29)6-10-31(11-7-26)23-19-12-18(27)13-21(28)22(19)30-14-20(23)25(34)32-8-4-17(5-9-32)24(33)16-2-3-16/h12-14,16-17H,2-11H2,1H3
InChIKeyOOZRNSZBMOPOEP-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.47
Rot. Bonds4

About 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile

1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile (PubChem CID 142581184) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
PubChem CID142581184
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(C(=O)N3CCC(C(=O)C4CC4)CC3)cnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C26H28F2N4O2/c1-26(15-29)6-10-31(11-7-26)23-19-12-18(27)13-21(28)22(19)30-14-20(23)25(34)32-8-4-17(5-9-32)24(33)16-2-3-16/h12-14,16-17H,2-11H2,1H3
InChIKeyOOZRNSZBMOPOEP-UHFFFAOYSA-N
XLogP4.47
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile with MolForge

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Related Compounds

1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
1-[6,7-difluoro-3-(4-methylsulfanylpiperazine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 174205260
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581502
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581499
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6,7-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581200
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581475
6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile
CID 75399482
4-methyl-1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
CID 150013898
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
CID 142581406
1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile
CID 142581592
[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile (CID 142581184) is 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(c2c(C(=O)N3CCC(C(=O)C4CC4)CC3)cnc3c(F)cc(F)cc23)CC1.
What is the InChIKey of 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is OOZRNSZBMOPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-26(15-29)6-10-31(11-7-26)23-19-12-18(27)13-21(28)22(19)30-14-20(23)25(34)32-8-4-17(5-9-32)24(33)16-2-3-16/h12-14,16-17H,2-11H2,1H3.
What are the key properties of 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile?
1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 466.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-6,8-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).