1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile

C26H30FN5O2 — CID 142581222

IUPAC1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile
SMILESCCC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN5O2/c1-2-26(17-28)7-9-30(10-8-26)23-20-15-19(27)5-6-22(20)29-16-21(23)25(34)32-13-11-31(12-14-32)24(33)18-3-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3
InChIKeyWWNYGWVXNBKAJJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.59
Rot. Bonds4

About 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile

1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile (PubChem CID 142581222) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile
PubChem CID142581222
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile
SMILESCCC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H30FN5O2/c1-2-26(17-28)7-9-30(10-8-26)23-20-15-19(27)5-6-22(20)29-16-21(23)25(34)32-13-11-31(12-14-32)24(33)18-3-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3
InChIKeyWWNYGWVXNBKAJJ-UHFFFAOYSA-N
XLogP3.59
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile (CID 142581222) is 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile is CCC1(C#N)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile?
The InChIKey is WWNYGWVXNBKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-2-26(17-28)7-9-30(10-8-26)23-20-15-19(27)5-6-22(20)29-16-21(23)25(34)32-13-11-31(12-14-32)24(33)18-3-4-18/h5-6,15-16,18H,2-4,7-14H2,1H3.
What are the key properties of 1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile?
1-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile has a molecular weight of 463.56 g/mol, XLogP of 3.59, 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)piperazine-1-carbonyl]-6-fluoroquinolin-4-yl]-4-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).