(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone

C27H34F2N4O2 — CID 68682983

IUPAC(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC1CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C27H34F2N4O2/c28-27(29)8-10-31(11-9-27)26(35)24-17-21-16-20(6-7-23(21)33(24)18-19-4-5-19)25(34)32-14-12-30(13-15-32)22-2-1-3-22/h6-7,16-17,19,22H,1-5,8-15,18H2
InChIKeyFUNNCOOYWKIYIU-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.23
Rot. Bonds5

About (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone (PubChem CID 68682983) has the molecular formula C27H34F2N4O2 and a molecular weight of 484.59 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone
PubChem CID68682983
Molecular FormulaC27H34F2N4O2
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC1CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C27H34F2N4O2/c28-27(29)8-10-31(11-9-27)26(35)24-17-21-16-20(6-7-23(21)33(24)18-19-4-5-19)25(34)32-14-12-30(13-15-32)22-2-1-3-22/h6-7,16-17,19,22H,1-5,8-15,18H2
InChIKeyFUNNCOOYWKIYIU-UHFFFAOYSA-N
XLogP4.23
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone (CID 68682983) is (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone is O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC1CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone?
The InChIKey is FUNNCOOYWKIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O2/c28-27(29)8-10-31(11-9-27)26(35)24-17-21-16-20(6-7-23(21)33(24)18-19-4-5-19)25(34)32-14-12-30(13-15-32)22-2-1-3-22/h6-7,16-17,19,22H,1-5,8-15,18H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone has a molecular weight of 484.59 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone is sourced from PubChem (CID 68682983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).